
 AC1NNPKR

 45 47  0  0  0  0  0  0  0  0999 V2000
    5.9115   -0.0751    3.4778 C   0  0  0  0  0
    5.6609   -1.5698    3.5633 C   0  0  0  0  0
    5.2854   -1.9384    2.1359 C   0  0  0  0  0
    4.4905   -0.7362    1.6097 C   0  0  0  0  0
    4.7878    0.4214    2.5783 C   0  0  0  0  0
    4.8366   -0.4236    0.2381 N   0  0  0  0  0
    4.0999    0.4663   -0.5180 C   0  0  0  0  0
    3.0934    1.0212   -0.0861 O   0  0  0  0  0
    4.6359    0.7060   -1.8421 C   0  0  0  0  0
    4.3084    1.6596   -2.7852 C   0  0  0  0  0
    5.1443    1.4349   -3.9022 C   0  0  0  0  0
    5.9079    0.3251   -3.6036 C   0  0  0  0  0
    5.6328   -0.0985   -2.3349 O   0  0  0  0  0
    6.9422   -0.4365   -4.3384 C   0  0  0  0  0
    6.2866   -1.0631   -5.8830 S   0  0  0  0  0
    5.7407    0.0540   -6.6390 O   0  0  0  0  0
    7.3323   -1.8625   -6.5028 O   0  0  0  0  0
    4.9160   -2.1410   -5.4603 C   0  0  0  0  0
    5.3409   -3.2668   -4.5586 C   0  0  0  0  0
    6.2057   -4.2802   -4.9980 C   0  0  0  0  0
    6.5665   -5.3285   -4.1468 C   0  0  0  0  0
    6.0527   -5.3908   -2.8527 C   0  0  0  0  0
    5.1741   -4.4051   -2.4108 C   0  0  0  0  0
    4.8254   -3.3606   -3.2625 C   0  0  0  0  0
    3.9614   -2.4366   -2.8217 F   0  0  0  0  0
    5.9001    0.4069    4.4596 H   0  0  0  0  0
    6.8832    0.1219    3.0099 H   0  0  0  0  0
    4.8256   -1.7785    4.2420 H   0  0  0  0  0
    6.5373   -2.1197    3.9178 H   0  0  0  0  0
    6.1976   -2.1027    1.5489 H   0  0  0  0  0
    4.7004   -2.8627    2.0950 H   0  0  0  0  0
    3.4155   -0.9541    1.6348 H   0  0  0  0  0
    5.0550    1.3602    2.0830 H   0  0  0  0  0
    3.8974    0.6139    3.1902 H   0  0  0  0  0
    5.7044   -0.7558   -0.1655 H   0  0  0  0  0
    3.5568    2.4283   -2.6628 H   0  0  0  0  0
    5.1665    1.9988   -4.8268 H   0  0  0  0  0
    7.3232   -1.2850   -3.7640 H   0  0  0  0  0
    7.7858    0.2124   -4.5933 H   0  0  0  0  0
    4.5186   -2.5426   -6.3987 H   0  0  0  0  0
    4.1350   -1.5192   -5.0127 H   0  0  0  0  0
    6.6095   -4.2691   -6.0105 H   0  0  0  0  0
    7.2452   -6.1020   -4.5005 H   0  0  0  0  0
    6.3278   -6.2128   -2.1965 H   0  0  0  0  0
    4.7492   -4.4487   -1.4128 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
AC1NNPKR

>  <PubChem CID>
5049843

>  <Formula>
C18H20FNO4S

>  <Molecular Weight>
365.419000

>  <IUPAC Name>
N-cyclopentyl-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(C1)NC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F

>  <Isomeric SMILES>
C1CCC(C1)NC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3F

>  <InChI Std. ID>
InChI=1S/C18H20FNO4S/c19-16-8-4-1-5-13(16)11-25(22,23)12-15-9-10-17(24-15)18(21)20-14-6-2-3-7-14/h1,4-5,8-10,14H,2-3,6-7,11-12H2,(H,20,21)

>  <InChI Key>
AAIOPLKMESRUOC-UHFFFAOYSA-N

