16193663 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 16 8 8 8 7 7 6 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 1 1 1 1 2 3 3 4 5 5 5 6 6 6 7 7 8 8 9 10 11 12 12 13 13 14 14 14 15 15 16 16 16 17 18 18 18 19 19 21 21 22 22 23 23 24 24 26 26 26 9 18 10 25 26 20 7 10 14 16 20 39 8 12 9 13 11 11 27 15 28 17 29 30 31 32 17 35 19 33 34 36 20 37 38 21 22 23 40 24 41 25 42 25 43 44 45 46 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 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 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 4.666 6.3981 9.8622 4.666 4.666 6.3981 3.8 3.8 4.666 5.5321 5.5321 2.9061 2.9061 4.666 2 6.3981 2 5.5321 7.2641 5.5321 7.2641 8.1301 8.1301 8.9962 8.9962 9.8622 6.069 2.9132 2.9132 4.046 4.666 5.286 6.186 5.7875 1.4643 1.4643 5.7441 6.1426 6.935 6.7272 8.1301 8.1301 9.5331 10.4822 9.8622 9.2422 -1 -4 4 1 -4 1 -3.5 -2.5 -2 -3.5 -2.5 -4.0347 -1.9653 -5 -3.5208 2 -2.4792 -0.5 2.5 0.5 3.5 2 4 2.5 3.5 5 -2.19 -4.6546 -1.3454 -5 -5.62 -5 2.5826 1.8923 -3.8329 -2.1671 -1.0826 -0.3923 0.69 3.81 1.38 4.62 2.19 5 5.62 5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 8 9 10 12 13 15 19 19 21 22 23 24 7 10 8 12 9 13 11 11 15 17 17 21 22 23 24 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 543 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3000400000000000000000000000000000000000306080000000000000814000001E04100000000C0CC5D806B2C683C004088802255250008208002122100888800E6CC80C2622E4B19B84302864D611E8E90790D0020E20000000000200004000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-methoxyphenyl)methyl]-2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-methoxyphenyl)methyl]-2-[(1-methyl-2-oxo-4-quinolinyl)thio]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(4-methoxyphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-methoxyphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-methoxyphenyl)methyl]-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(2-keto-1-methyl-4-quinolyl)thio]-N-p-anisyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H20N2O3S/c1-22-17-6-4-3-5-16(17)18(11-20(22)24)26-13-19(23)21-12-14-7-9-15(25-2)10-8-14/h3-11H,12-13H2,1-2H3,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SZPRXAXRXPFWEE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.11946368 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H20N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 83.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.11946368 26 0 0 0 0 0 0 0 1 -1