3153587 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 16 8 8 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 1 1 2 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 12 12 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 24 25 25 25 26 26 26 8 11 10 11 13 22 25 10 11 12 13 16 30 9 10 27 13 28 29 14 15 17 31 18 32 19 20 21 33 21 34 23 35 24 36 37 23 24 38 39 26 40 41 42 43 44 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 8 1 9 10 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 5.5116 3.9595 7.1753 4.5981 2.866 5.6808 2.866 4.5981 3.732 4.7026 6.1808 6.0875 3.732 5.4997 7.082 2.866 5.9064 7.4888 3.732 2 6.901 2.866 3.732 2 2 2 4.6305 3.52 3.1215 2.3291 4.8831 7.4464 5.542 8.1054 4.269 1.4631 7.1531 4.269 1.4631 1.788 1.3894 1.38 2 2.62 1.3717 3.4421 2.0103 -0.2215 -4.2215 2.9809 -0.2215 1.7785 1.2785 2.773 2.1149 3.8944 0.2785 4.7035 3.999 -1.2215 5.617 4.9125 -1.7215 -1.7215 5.7215 -3.2215 -2.7215 -2.7215 -4.7215 -5.7215 1.1593 1.8611 1.1708 0.0885 4.6386 3.4974 6.1186 4.9773 -1.4115 -1.4115 6.2879 -3.0315 -3.0315 -4.1389 -4.8292 -5.7215 -6.3415 -5.7215 3 8 8 8 8 8 8 8 8 8 8 8 8 8 12 12 14 15 16 16 17 18 19 20 22 22 9 14 15 17 18 19 20 21 21 23 24 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 528 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 00000371E07B3800400000000000000000000000000160000000306000000000000000014000001E0410000000080CA5D002B2C683C00408880025525000820800612210088801066C880C2632E4B19B863828E4D431C8E807B540000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,4-dioxo-3-phenyl-thiazolidin-5-yl)-N-(4-ethoxyphenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-(4-ethoxyphenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-<I>N</I>-(4-ethoxyphenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-ethoxyphenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2,4-bis(oxidanylidene)-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2,4-diketo-3-phenyl-thiazolidin-5-yl)-N-p-phenetyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H18N2O4S/c1-2-25-15-10-8-13(9-11-15)20-17(22)12-16-18(23)21(19(24)26-16)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MNYUWNCXVJTNCT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.09872823 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H18N2O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 101 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.09872823 26 1 0 1 0 0 0 0 1 6