32619828 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 16 8 8 8 8 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 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 7 8 8 10 11 11 11 12 12 12 13 13 16 16 17 17 18 18 18 19 20 20 20 9 10 13 19 15 20 14 15 9 14 24 8 10 11 9 15 12 21 22 23 25 26 27 14 16 17 18 19 28 29 30 31 32 33 34 35 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 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 6.2633 7.1293 2.9511 7.1863 3.4863 5.4543 4.9543 4.6453 5.4543 5.9543 4.3665 6.5421 6.3203 6.3203 3.6942 5.5113 5.8203 4.5602 6.8203 2 3.8649 4.0021 4.8681 4.9173 6.0405 6.9065 7.0436 5.4559 4.3686 3.9706 4.7518 7.1847 2.1916 1.4103 1.8084 -1.4333 2.2423 -1.7934 0.1545 -0.1461 0.1545 -2.3843 -1.4333 -0.8455 -2.3843 -3.1934 -3.1934 1.6545 0.6545 -1.1243 2.2423 3.1934 1.9333 3.1934 -1.4844 -2.8289 -3.6949 -3.5578 0.4645 -3.5578 -3.6949 -2.8289 3.6949 2.5229 1.7417 1.3436 3.6949 -0.8947 -1.2928 -2.074 8 8 8 8 8 8 8 8 8 8 1 1 2 2 7 7 8 13 16 17 9 10 13 19 8 10 9 16 17 19 0 Compound Canonicalized 5 2009.05.18 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 389 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C072380040000000000000000000000000012240000000000000000000000001E000001E04100000000C04A1D802328D82C004488C02A9D2D802830880652819088811C64CC80E263AE4B5BF8719A8E6C411F8E9C69817020E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5-dimethyl-2-[[(3-methyl-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 4,5-dimethyl-2-[(3-methylfuran-2-yl)carbonylamino]thiophene-3-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5-dimethyl-2-[(3-methyl-2-furoyl)amino]thiophene-3-carboxylic acid methyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H15NO4S/c1-7-5-6-19-11(7)12(16)15-13-10(14(17)18-4)8(2)9(3)20-13/h5-6H,1-4H3,(H,15,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WAQGXEALQSRKGA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.07217913 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H15NO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(OC=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(OC=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 96.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.07217913 20 0 0 0 0 0 0 0 1 -1