24686991 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 16 8 8 8 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 2 2 3 3 4 5 5 5 6 6 6 7 7 7 8 9 10 11 12 12 12 13 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 24 10 23 9 14 11 24 8 6 7 8 10 25 26 11 27 28 9 13 15 16 13 14 17 29 18 21 30 22 31 19 32 20 33 20 34 35 23 36 24 37 38 39 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 2 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 39 9.2564 4.6783 7.7564 6.7619 6.7619 7.7619 6.2619 6.2619 5.2619 8.2619 6.7619 3.732 4.6783 3.732 7.8551 6.3551 2.866 2.866 2 2 8.5983 7.0983 9.4643 7.9643 7.6542 8.3445 5.7869 5.7869 4.8709 7.2487 5.7487 2.866 2.866 1.4631 1.4631 8.5335 7.0335 10.0307 8.5307 1.4036 0.4943 -1.4036 2.1651 0.433 0.433 -0.433 1.299 1.299 1.299 -1.299 1.799 2.1038 0.799 2.2126 -2.2126 2.299 0.299 1.799 0.799 2.8817 -2.8817 2.3817 -2.3817 -0.1776 0.221 -0.0345 -0.8315 2.6931 2.3415 -2.3415 2.919 -0.321 2.109 0.489 3.4983 -3.4983 2.6339 -2.6339 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 9 10 11 12 12 12 14 15 16 17 18 19 21 22 10 23 9 14 11 24 13 15 16 13 14 17 18 21 22 19 20 20 23 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 446 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 0 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 00000371C07A300040000000000000000000000000012244800030000000000000004801FE00001E04000000000C04E5D806B007C30004488C02A9529002830880242810488819CE0CC80E2632A4B53F873928E4C611B8A98798DFA2EE00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furylmethyl)-N-(2-thienylmethyl)benzofuran-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furanylmethyl)-N-(thiophen-2-ylmethyl)-2-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(furan-2-ylmethyl)-<I>N</I>-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furfuryl)-N-(2-thenyl)coumarilamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H15NO3S/c21-19(18-11-14-5-1-2-8-17(14)23-18)20(12-15-6-3-9-22-15)13-16-7-4-10-24-16/h1-11H,12-13H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YLGIARPCMDOBDE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.07726451 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H15NO3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(O2)C(=O)N(CC3=CC=CO3)CC4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(O2)C(=O)N(CC3=CC=CO3)CC4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 74.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.07726451 24 0 0 0 0 0 0 0 1 -1