
 CHEMBL1779914

 36 38  0  0  0  0  0  0  0  0999 V2000
    2.7850   -0.1690    3.3336 C   0  0  0  0  0
    3.3257    0.1402    1.9621 C   0  0  0  0  0
    3.0359   -0.6125    0.8016 C   0  0  0  0  0
    3.7380   -0.3346   -0.3966 C   0  0  0  0  0
    4.6288    0.7526   -0.4428 C   0  0  0  0  0
    4.8526    1.5393    0.6801 C   0  0  0  0  0
    4.2117    1.2306    1.8736 C   0  0  0  0  0
    3.5010   -1.1010   -1.6717 C   0  0  0  0  0
    2.0930   -1.6697    0.7863 N   0  0  0  0  0
    0.8375   -1.6346    1.3731 C   0  0  0  0  0
    0.3674   -0.6707    1.9675 O   0  0  0  0  0
    0.0596   -2.8432    1.1638 C   0  0  0  0  0
   -1.2380   -3.1308    1.5289 C   0  0  0  0  0
   -1.5064   -4.4394    1.0731 C   0  0  0  0  0
   -0.3583   -4.9085    0.4536 C   0  0  0  0  0
    0.6023   -3.9223    0.5159 O   0  0  0  0  0
   -0.1229   -6.1881   -0.1621 C   0  0  0  0  0
    1.1024   -6.7814   -0.3979 C   0  0  0  0  0
    0.9816   -8.0609   -1.0187 C   0  0  0  0  0
   -0.3324   -8.3976   -1.2531 C   0  0  0  0  0
   -1.4073   -7.1858   -0.7109 S   0  0  0  0  0
    2.5301   -1.2268    3.4446 H   0  0  0  0  0
    1.9133    0.4538    3.5531 H   0  0  0  0  0
    3.5453    0.0342    4.0970 H   0  0  0  0  0
    5.1443    1.0039   -1.3677 H   0  0  0  0  0
    5.5342    2.3841    0.6305 H   0  0  0  0  0
    4.4181    1.8370    2.7535 H   0  0  0  0  0
    3.6134   -2.1769   -1.5075 H   0  0  0  0  0
    4.2248   -0.8241   -2.4463 H   0  0  0  0  0
    2.4991   -0.8875   -2.0574 H   0  0  0  0  0
    2.1840   -2.3761    0.0678 H   0  0  0  0  0
   -1.9030   -2.4621    2.0596 H   0  0  0  0  0
   -2.4317   -4.9864    1.1929 H   0  0  0  0  0
    2.0460   -6.3257   -0.1227 H   0  0  0  0  0
    1.8162   -8.6997   -1.2809 H   0  0  0  0  0
   -0.7160   -9.2983   -1.7131 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1779914

>  <PubChem CID>
54586463

>  <Formula>
C17H15NO2S

>  <Molecular Weight>
297.372000

>  <IUPAC Name>
N-(2,6-dimethylphenyl)-5-thiophen-2-ylfuran-2-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(O2)C3=CC=CS3

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(O2)C3=CC=CS3

>  <InChI Std. ID>
InChI=1S/C17H15NO2S/c1-11-5-3-6-12(2)16(11)18-17(19)14-9-8-13(20-14)15-7-4-10-21-15/h3-10H,1-2H3,(H,18,19)

>  <InChI Key>
AFJMCYKWIVQVNW-UHFFFAOYSA-N

