53383641 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 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 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 11 11 11 13 13 14 14 15 15 16 16 17 17 18 19 19 19 7 10 13 19 12 11 12 23 10 30 31 8 10 12 8 9 20 14 15 13 21 22 24 25 16 26 17 27 18 28 18 29 32 33 34 35 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 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 8.0559 2.9945 6.5659 5.1646 8.3347 6.7469 7.2469 6.4379 7.2469 7.7469 4.5768 6.1591 3.5823 6.3809 8.113 6.3809 8.113 7.2469 2 5.8482 5.1341 4.4059 4.9124 3.025 3.7532 5.844 8.6499 5.844 8.6499 8.9513 8.0825 7.2469 1.9352 1.3834 2.0648 0.2094 3.3784 2.883 1.8649 1.9694 1.1604 -0.3784 0.2094 -1.3784 1.1604 2.6739 1.9694 2.5694 -1.8784 -1.8784 -2.8784 -2.8784 -3.3784 3.2739 0.0178 2.9457 3.2699 1.2985 2.2976 1.9734 -1.5684 -1.5684 -3.1884 -3.1884 1.9046 2.5358 -3.9984 3.8905 3.2091 2.6573 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 7 9 9 14 15 16 17 7 10 8 10 8 14 15 16 17 18 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 295 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E073300040000000000000000000000000012000000030000000000000000001C000001E04100000000C00E1D806328182C004088C02215250008300806408114888990844C80A203AA0D591852188609600B8C9C71888C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-N-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-N-(2-methoxyethyl)-5-phenyl-3-thiophenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-<I>N</I>-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-azanyl-N-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-N-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H16N2O2S/c1-18-8-7-16-14(17)11-9-12(19-13(11)15)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QOTMPSXFERGPKP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.09324893 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H16N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.36 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COCCNC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COCCNC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 92.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.09324893 19 0 0 0 0 0 0 0 1 -1