70789477 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 49 16 16 8 8 8 8 7 7 7 7 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 2 3 3 6 7 7 8 8 8 9 9 10 10 11 11 12 13 13 14 15 15 16 16 17 17 17 18 18 18 19 21 21 22 24 24 25 25 26 27 27 28 28 29 29 30 30 31 4 5 7 11 23 26 12 14 20 15 33 20 23 42 19 22 23 24 12 13 17 14 32 18 16 19 20 21 34 35 36 37 38 39 40 22 41 43 25 26 27 28 44 29 45 30 46 31 47 31 48 49 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 2 1 2 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 36 37 38 39 40 41 42 43 44 45 46 47 48 49 10.8964 6.4617 12.8451 10.3964 11.3964 8.2983 10.0303 7.4323 10.8964 5.6527 11.7624 11.8669 12.6759 13.3451 10.0303 9.1643 11.1238 14.3396 10.8964 8.2983 9.1643 10.0303 6.5662 4.9836 3.989 5.4836 3.4013 3.5823 2.4067 2.5878 2 12.8048 9.4934 11.5386 10.663 10.7089 14.2748 14.9562 14.4044 11.4333 8.6274 7.4323 10.0303 5.2314 3.6534 3.9467 2.0423 2.3356 1.3834 0.6682 0.1627 2.3706 1.5342 -0.1979 0.1682 0.1682 -1.3318 -2.3318 -1.2386 1.1682 2.1627 0.7614 1.5046 -0.8318 -1.3318 2.8318 1.4 -1.3318 -0.8318 -2.3318 -2.8318 -0.8318 -0.4954 -0.5999 0.3706 0.2091 -1.5135 0.1045 -1.618 -0.809 0.155 0.4782 3.2926 3.2467 2.3711 0.7834 1.3352 2.0167 -1.0218 -2.6418 -1.9518 -3.4518 0.937 0.7755 -2.0151 0.6061 -2.1844 -0.8738 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 9 9 10 10 11 11 13 15 15 16 21 24 25 25 27 28 29 30 23 26 12 14 19 22 23 24 12 13 14 16 19 21 22 26 27 28 29 30 31 31 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 725 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB8006000000000000000000000000001624000003C400000000000000001FC00001E04104000000C0CC5DE04BFD592C8144AAC03B5777470C2F8B9753A3909D83F3E7CD88C66FAE4FD9B9639A8ECD113C8E9E79C80800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(2,5-dimethyl-3-furyl)sulfonylamino]-N-(4-phenylthiazol-2-yl)pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(2,5-dimethyl-3-furanyl)sulfonylamino]-N-(4-phenyl-2-thiazolyl)-4-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-<I>N</I>-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(2,5-dimethyl-3-furyl)sulfonylamino]-N-(4-phenylthiazol-2-yl)isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H18N4O4S2/c1-13-10-19(14(2)29-13)31(27,28)25-17-11-22-9-8-16(17)20(26)24-21-23-18(12-30-21)15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H,23,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SSZZDDQENGUODL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 454.07694742 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H18N4O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 454.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(O1)C)S(=O)(=O)NC2=C(C=CN=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(O1)C)S(=O)(=O)NC2=C(C=CN=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 151 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 454.07694742 31 0 0 0 0 0 0 0 1 -1