49790612 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 16 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 2 2 3 4 4 4 5 5 6 6 6 7 8 8 9 9 10 10 11 12 12 13 13 15 16 16 16 17 17 18 19 20 20 21 21 22 22 23 24 18 24 7 11 14 14 16 31 19 23 7 8 10 9 11 12 13 14 15 25 26 17 19 15 27 28 18 29 30 21 32 20 33 22 34 23 35 24 36 37 38 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 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 31 32 33 34 35 36 37 38 3.4782 7.127 6.1808 4.4487 7.0804 6.1808 6.1808 7.127 5.3147 5.3147 7.7106 7.4376 4.4487 5.3147 4.4487 4.4487 8.4161 3.5827 6.7698 2.6691 8.7268 2 8.059 2.5 5.3147 8.3306 3.9118 3.9118 4.6608 5.0593 3.9118 8.8302 6.1631 2.5402 9.3335 1.3834 8.2516 2.2478 -4.2214 -0.0317 -1.7269 -1.7269 4.2231 1.2731 0.2731 1.5778 -0.2269 1.7731 0.7731 2.5283 0.2731 -1.2269 1.2731 -2.7269 2.7345 -3.2269 3.2726 -2.8202 3.6851 -3.5633 4.4294 -4.4294 2.3931 0.7731 -0.0369 1.5831 -3.3095 -2.6193 -1.4169 2.2731 3.1448 -2.2137 3.8129 -3.4985 5.0187 -4.9958 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 6 6 6 7 8 9 10 12 12 13 17 18 20 21 22 18 24 7 11 19 23 7 8 10 9 11 13 15 17 19 15 21 20 22 23 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 447 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B30004000000000000000000000000001224000003C400000000000004801FE00001E04100000000C04E5DA06BC87D2C81448AC02B977D4008388A0352A3048D8B93C6CD80C26FEECB59B863968E6E611E8E987BCD9F28E80000200000800000000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-pyridyl)-N-(2-thienylmethyl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-pyridinyl)-N-(thiophen-2-ylmethyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-pyridin-3-yl-<I>N</I>-(thiophen-2-ylmethyl)-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-pyridyl)-N-(2-thenyl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H14N2O2S/c22-19(21-11-14-5-3-9-24-14)16-7-1-6-15-17(12-23-18(15)16)13-4-2-8-20-10-13/h1-10,12H,11H2,(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NJGAECRLLFCITD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.07759887 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H14N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C(=C1)C(=O)NCC3=CC=CS3)OC=C2C4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C(=C1)C(=O)NCC3=CC=CS3)OC=C2C4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.07759887 24 0 0 0 0 0 0 0 1 -1