62649266 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 16 9 9 8 7 7 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 2 3 4 5 5 5 6 7 7 7 8 9 10 11 11 11 12 12 12 13 13 13 15 16 16 18 19 19 20 8 9 15 18 14 9 14 21 17 8 10 11 12 10 17 22 23 24 25 26 27 14 15 16 18 19 28 20 20 29 30 1 1 1 1 2 1 1 1 3 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 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 5.5202 2.113 2.113 2.9791 4.7111 2 4.2111 5.2111 4.7111 3.9021 3.6233 5.7989 3.8451 3.8451 2.9791 4.7111 2.9511 2.9791 4.7111 3.8451 5.2481 4.1249 3.2589 3.1218 6.3005 6.1633 5.2973 5.2481 5.2481 3.8451 1.6639 -1.4239 -3.4239 0.0761 0.0761 1.0458 2.6149 2.6149 1.0761 1.6639 3.4239 3.4239 -1.4239 -0.4239 -1.9239 -1.9239 1.3548 -2.9239 -2.9239 -3.4239 -0.2339 3.7884 3.9255 3.0595 3.0595 3.9255 3.7884 -1.6139 -3.2339 -4.0439 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 9 13 13 15 16 18 19 8 9 8 10 10 15 16 18 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 425 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073218040000000000000000000000000012000000030000000000000000001C000001F04100000000C0081D808328182C000089C0621525000A300806508190888110044C808A032E09591842108608400E8C98F1888008E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-cyano-4,5-dimethyl-2-thienyl)-2,3-difluoro-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2,3-difluorobenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-difluorobenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-difluorobenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2,3-bis(fluoranyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-cyano-4,5-dimethyl-2-thienyl)-2,3-difluoro-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H10F2N2OS/c1-7-8(2)20-14(10(7)6-17)18-13(19)9-4-3-5-11(15)12(9)16/h3-5H,1-2H3,(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JBNVKRFKQBRYJX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.04819044 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H10F2N2OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(SC(=C1C#N)NC(=O)C2=C(C(=CC=C2)F)F)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(SC(=C1C#N)NC(=O)C2=C(C(=CC=C2)F)F)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 81.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.04819044 20 0 0 0 0 0 0 0 1 -1