70789358 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 50 51 52 53 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 16 17 18 20 21 21 22 22 22 23 24 24 24 26 27 27 28 28 29 30 30 31 32 33 33 33 3 4 7 11 25 29 19 30 33 12 34 19 25 44 20 26 23 25 14 15 13 20 19 21 17 35 18 36 17 18 24 37 38 39 26 40 23 27 28 29 41 42 43 45 31 46 32 47 48 31 32 49 50 51 52 53 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 2 1 1 2 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 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 12.4787 8.044 11.9787 12.9787 9.8806 2.5878 11.6127 9.0146 12.4787 7.235 13.3447 11.6127 10.7466 13.3447 14.2107 15.0768 14.2107 15.0768 9.8806 12.4787 10.7466 5.5714 6.5659 15.9428 8.1486 11.6127 5.1646 4.9836 7.0659 3.5823 4.1701 3.989 2 11.0757 12.8078 14.2107 14.2107 15.6137 13.0156 10.2097 16.2528 16.4797 15.6328 9.0146 11.6127 5.529 5.2357 6.8137 3.9179 3.6246 2.5016 1.6356 1.4984 0.75 0.2445 1.616 -0.116 0.25 -0.8317 0.25 -1.25 -2.25 -1.1567 1.25 -0.75 -1.25 2.25 0.75 2.25 2.75 1.25 -0.75 -1.25 -2.25 -0.5181 -0.4136 2.75 -0.75 -2.75 -1.4317 0.2909 0.4524 -0.7272 -1.5362 0.1864 -0.0227 0.56 2.56 0.13 3.37 0.94 -0.94 -2.56 2.2131 3.06 3.2869 -1.87 -3.37 -1.9333 0.8573 1.0188 -2.1026 0.688 0.3417 0.4789 -0.3871 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 9 9 10 10 11 11 12 12 13 14 15 16 16 21 22 22 23 27 28 30 30 25 29 20 26 23 25 14 15 13 20 21 17 18 17 18 26 27 28 29 31 32 31 32 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 746 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB8006000000000000000000000000001600000003C608000000000000001F400001E04104000000C0CC5DE06BFD792C8140AAC0335777470C2F8B9753A3909D83D3E7CD88C66FAE4FD9B9431A86CD113C8E9E794D0830E30000000000000006000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-(p-tolylsulfonylamino)pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-methoxyphenyl)-2-thiazolyl]-3-[(4-methylphenyl)sulfonylamino]-4-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-(tosylamino)isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H20N4O4S2/c1-15-3-9-18(10-4-15)33(29,30)27-20-13-24-12-11-19(20)22(28)26-23-25-21(14-32-23)16-5-7-17(31-2)8-6-16/h3-14,27H,1-2H3,(H,25,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BKINEUQZVMMBLY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 480.09259748 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H20N4O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 480.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CN=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CN=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 147 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 480.09259748 33 0 0 0 0 0 0 0 1 -1