53585172 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 16 8 8 7 7 6 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 2 3 4 4 4 5 5 5 6 6 7 7 7 7 8 9 9 11 11 12 12 13 13 14 14 15 15 16 17 18 18 19 19 20 21 22 22 23 23 24 20 24 10 17 6 10 27 8 17 30 8 11 9 10 25 26 12 13 14 15 28 16 29 18 31 19 32 16 33 34 20 21 35 21 36 22 37 23 38 24 39 40 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 9.7372 5.4641 9.7942 6.3301 8.0622 7.1962 4.5981 8.0622 3.732 5.4641 7.1962 8.9282 3.732 2.866 8.0622 8.9282 8.9282 2.866 2 8.9282 2 8.1192 8.4282 9.4282 4.9966 4.1996 6.3301 6.6592 9.4651 7.5252 4.269 2.866 8.0622 9.4651 2.866 1.4631 1.4631 7.5295 8.0638 9.7926 2.0684 -2.5194 -0.0194 -1.0194 -0.0194 -1.5194 -1.0194 -1.0194 -1.5194 -1.5194 -2.5194 -1.5194 -2.5194 -1.0194 -3.0194 -2.5194 0.4806 -3.0194 -1.5194 1.4806 -2.5194 2.0684 3.0194 3.0194 -0.5445 -0.5445 -0.3994 -2.8294 -1.2094 0.2906 -2.8294 -0.3994 -3.6394 -2.8294 -3.6394 -1.2094 -2.8294 1.8768 3.521 3.521 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 8 9 9 11 12 13 14 15 18 19 20 22 23 20 24 8 11 12 13 14 15 16 18 19 16 21 21 22 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 437 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B300040000000000000000000000000012000000030600000000000000001D000001E04100000000C0885D800B0C182C000088C0225525000830080250A104888190074C8086032E09591942108609400E8C9871888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[(1-oxo-2-phenylethyl)amino]phenyl]-2-thiophenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(2-phenylethanoylamino)phenyl]thiophene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H16N2O2S/c22-18(13-14-7-2-1-3-8-14)20-15-9-4-5-10-16(15)21-19(23)17-11-6-12-24-17/h1-12H,13H2,(H,20,22)(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IQPGQJNQZDIZQA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.09324893 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H16N2O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2NC(=O)C3=CC=CS3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2NC(=O)C3=CC=CS3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.09324893 24 0 0 0 0 0 0 0 1 -1