58631841 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 45 46 47 48 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 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 12 12 13 15 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 27 28 7 8 14 20 48 18 9 18 32 14 15 35 10 12 11 13 11 14 16 17 29 13 30 31 20 33 34 21 36 22 37 19 24 25 38 39 23 40 23 41 42 26 43 27 44 28 45 28 46 47 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 9 5 14 11 8 29 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 40 41 42 43 44 45 46 47 48 6.5128 6.5659 10.1372 5.5714 5.3903 7.9671 5.7038 6.2038 6.3848 5.7038 6.7916 4.8948 5.2038 6.9726 8.5549 6.5698 4.8378 4.9836 3.989 9.5494 6.5698 4.8378 5.7038 3.4013 3.5823 2.4067 2.5878 2 7.4082 4.3051 4.8393 5.0259 8.7258 7.9977 8.2193 7.1067 4.3008 9.3785 10.1067 7.1067 4.3008 5.7038 3.6534 3.9467 2.0423 2.3356 1.3834 10.7538 -0.6519 3.7443 4.2397 3.8488 2.1262 2.7262 -1.2397 0.2991 2.0217 -2.2397 1.1082 -0.6519 0.2991 2.8307 3.5352 -2.7397 -2.7397 3.0398 3.1443 3.4307 -3.7397 -3.7397 -4.2397 2.3353 4.0578 2.4398 4.1624 3.3534 1.0434 -0.8435 0.8007 1.6246 4.1312 3.807 2.1598 -2.4297 -2.4297 2.8347 3.1589 -4.0497 -4.0497 -4.8597 1.7689 4.5594 1.9382 4.7288 3.4182 4.1749 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 7 8 10 10 12 16 17 19 19 21 22 24 25 26 27 7 8 12 13 16 17 13 21 22 24 25 23 23 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 551 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100800000C0CE19806300482C006408802A55250008208002422000888818E0CC80E763284B53B963928E4D61198A9C798C8F08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-1-(2-hydroxyethylcarbamoyl)-2-(5-phenyl-2-furyl)vinyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-3-(2-hydroxyethylamino)-3-oxo-1-(5-phenyl-2-furanyl)prop-1-en-2-yl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(<I>Z</I>)-3-(2-hydroxyethylamino)-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-3-(2-hydroxyethylamino)-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-3-(2-hydroxyethylamino)-3-oxidanylidene-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-1-(2-hydroxyethylcarbamoyl)-2-(5-phenyl-2-furyl)vinyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H20N2O4/c25-14-13-23-22(27)19(24-21(26)17-9-5-2-6-10-17)15-18-11-12-20(28-18)16-7-3-1-4-8-16/h1-12,15,25H,13-14H2,(H,23,27)(H,24,26)/b19-15- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QOXLBFCCSFRYKR-CYVLTUHYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 376.14230712 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H20N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 376.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC=C(O2)C=C(C(=O)NCCO)NC(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)NCCO)\NC(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 376.14230712 28 0 0 0 1 1 0 0 1 -1