
 CHEMBL592264

 55 56  0  0  0  0  0  0  0  0999 V2000
    2.2557    5.5536    1.1530 C   0  0  0  0  0
    3.6254    4.8943    1.2745 C   0  0  0  0  0
    3.6095    3.3651    1.5268 C   0  0  0  0  0
    2.8027    3.0363    2.8024 C   0  0  0  0  0
    2.9707    2.6014    0.3539 C   0  0  0  0  0
    5.0697    2.8813    1.7417 C   0  0  0  0  0
    5.4302    2.4483    2.8334 O   0  0  0  0  0
    5.8860    2.9803    0.6214 N   0  0  0  0  0
    7.2402    2.5800    0.5267 C   0  0  0  0  0
    7.8222    2.5246   -0.7409 C   0  0  0  0  0
    9.1514    2.0828   -0.9109 C   0  0  0  0  0
    9.9238    1.6757    0.1963 C   0  0  0  0  0
    9.3548    1.8118    1.4845 C   0  0  0  0  0
    8.0285    2.2602    1.6290 C   0  0  0  0  0
   10.1544    1.5580    2.7392 C   0  0  0  0  0
   11.3080    1.0917    0.0823 C   0  0  0  0  0
    9.8471    2.2568   -2.5506 S   0  0  0  0  0
    8.8326    2.8056   -3.4212 O   0  0  0  0  0
   11.1316    2.9108   -2.4077 O   0  0  0  0  0
   10.1748    0.6844   -3.0456 N   0  0  0  0  0
    9.1532   -0.1169   -3.7235 C   0  0  0  0  0
    8.9209    0.3462   -5.1614 C   0  0  0  0  0
    8.4744   -0.9143   -5.8799 C   0  0  0  0  0
    9.4025   -1.9757   -5.3187 C   0  0  0  0  0
    9.6390   -1.5715   -3.8625 C   0  0  0  0  0
    2.3749    6.6238    0.9549 H   0  0  0  0  0
    1.6763    5.4577    2.0758 H   0  0  0  0  0
    1.6750    5.1273    0.3300 H   0  0  0  0  0
    4.1729    5.3880    2.0887 H   0  0  0  0  0
    4.1888    5.1165    0.3600 H   0  0  0  0  0
    3.1714    3.6063    3.6632 H   0  0  0  0  0
    2.8828    1.9722    3.0563 H   0  0  0  0  0
    1.7370    3.2569    2.6835 H   0  0  0  0  0
    3.3864    2.9095   -0.6110 H   0  0  0  0  0
    1.8886    2.7654    0.3079 H   0  0  0  0  0
    3.1370    1.5226    0.4533 H   0  0  0  0  0
    5.4535    3.2771   -0.2432 H   0  0  0  0  0
    7.2441    2.8324   -1.6099 H   0  0  0  0  0
    7.6380    2.3717    2.6369 H   0  0  0  0  0
    9.5217    1.5880    3.6333 H   0  0  0  0  0
   10.9206    2.3323    2.8506 H   0  0  0  0  0
   10.6276    0.5730    2.7145 H   0  0  0  0  0
   12.0331    1.7157    0.6119 H   0  0  0  0  0
   11.6645    0.9699   -0.9390 H   0  0  0  0  0
   11.3123    0.0853    0.5189 H   0  0  0  0  0
   11.1408    0.5880   -3.3594 H   0  0  0  0  0
    8.2191   -0.1029   -3.1509 H   0  0  0  0  0
    9.8447    0.7327   -5.6103 H   0  0  0  0  0
    8.1607    1.1291   -5.2320 H   0  0  0  0  0
    7.4332   -1.1469   -5.6280 H   0  0  0  0  0
    8.5521   -0.8239   -6.9673 H   0  0  0  0  0
    8.9796   -2.9814   -5.4070 H   0  0  0  0  0
   10.3529   -1.9658   -5.8656 H   0  0  0  0  0
    9.0673   -2.2215   -3.1904 H   0  0  0  0  0
   10.6974   -1.7003   -3.6058 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 39  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 20  1  0  0  0
 17 19  2  0  0  0
 17 18  2  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
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 23 24  1  0  0  0
 23 50  1  0  0  0
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 25 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL592264

>  <PubChem CID>
46224634

>  <Formula>
C19H30N2O3S

>  <Molecular Weight>
366.520000

>  <IUPAC Name>
N-[3-(cyclopentylsulfamoyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C)(C)C(=O)NC1=CC(=C(C(=C1)C)C)S(=O)(=O)NC2CCCC2

>  <Isomeric SMILES>
CCC(C)(C)C(=O)NC1=CC(=C(C(=C1)C)C)S(=O)(=O)NC2CCCC2

>  <InChI Std. ID>
InChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-11-13(2)14(3)17(12-16)25(23,24)21-15-9-7-8-10-15/h11-12,15,21H,6-10H2,1-5H3,(H,20,22)

>  <InChI Key>
CNDQSCXSSCTHKH-UHFFFAOYSA-N

