16189534 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 16 16 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 6 6 7 7 8 8 9 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 15 16 16 16 17 17 17 18 19 20 20 21 21 22 22 23 24 24 25 25 26 4 5 7 18 18 23 15 11 13 15 14 38 19 25 10 11 14 27 12 28 29 30 31 13 32 33 34 35 36 37 16 17 39 40 19 41 42 20 21 22 43 24 44 23 45 46 26 47 26 48 49 2 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 1 1 1 1 9 10 11 14 27 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 4.4487 3.4782 6.1808 4.9487 3.9487 7.0468 5.3147 9.6448 6.1808 7.0468 6.1808 7.9128 7.9128 5.3147 7.0468 7.9128 7.9128 3.5827 8.7788 2.6691 8.7788 2 2.5 9.6448 10.5109 10.5109 6.1808 7.4453 6.6482 5.5702 5.9687 8.5234 8.1249 8.1249 8.5234 4.7042 5.1027 5.8517 8.5234 8.1249 7.3022 7.7008 2.5402 8.2419 1.3834 2.2478 9.6448 11.0478 11.0478 3.1488 4.6433 -1.8512 4.0148 2.2828 -0.3512 2.6488 -2.8512 1.1488 1.6488 0.1488 1.1488 0.1488 1.6488 -1.3512 -1.8512 -2.8512 3.6488 -3.3512 3.242 -4.3512 3.9852 4.8512 -4.8512 -3.3512 -4.3512 1.7688 2.1237 2.1237 0.2564 -0.4338 1.0411 1.7314 -0.4338 0.2564 1.7564 1.0662 2.9588 -1.9589 -1.2686 -2.7436 -3.4338 2.6356 -4.6612 3.9204 5.4176 -5.4712 -3.0412 -4.6612 8 8 8 8 3 8 8 8 8 8 8 8 2 2 8 8 9 18 19 20 21 22 24 25 18 23 19 25 14 20 21 22 24 23 26 26 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 565 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30006000000000000000000000000001200000002C580000000000000001E000001E04104000000D08C5D604BC819348100AAC0135775470C381B0310A3048D8B93864980820F2E0D191842008609600E8C8071C88808C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[3-(2-pyridyl)propanoyl]-3-piperidyl]methyl]thiophene-2-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[1-oxo-3-(2-pyridinyl)propyl]-3-piperidinyl]methyl]-2-thiophenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[3-(2-pyridyl)propanoyl]-3-piperidyl]methyl]thiophene-2-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H23N3O3S2/c22-17(9-8-16-6-1-2-10-19-16)21-11-3-5-15(14-21)13-20-26(23,24)18-7-4-12-25-18/h1-2,4,6-7,10,12,15,20H,3,5,8-9,11,13-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FGVZGCFNCSBUGP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 393.11808395 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H23N3O3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 393.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(CN(C1)C(=O)CCC2=CC=CC=N2)CNS(=O)(=O)C3=CC=CS3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(CN(C1)C(=O)CCC2=CC=CC=N2)CNS(=O)(=O)C3=CC=CS3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 116 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 393.11808395 26 1 0 1 0 0 0 0 1 -1