70789380 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 31 31 32 33 33 33 3 4 7 11 25 29 19 30 33 12 34 19 25 44 23 25 20 26 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 46 30 45 31 47 48 32 32 49 50 51 52 53 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 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 12.0719 7.6373 11.5719 12.5719 9.4739 2.9945 11.2059 8.6078 6.8283 12.0719 12.938 11.2059 10.3399 12.938 13.804 14.67 13.804 14.67 9.4739 12.0719 10.3399 5.1646 6.1591 15.536 7.7418 11.2059 4.5768 4.7579 6.6591 3.5823 3.7634 3.1756 2 10.669 12.401 13.804 13.804 15.207 12.6089 9.8029 15.846 16.073 15.226 8.6078 4.829 11.2059 5.1223 6.407 3.5112 2.559 1.9352 1.3834 2.0648 0.75 0.2445 1.616 -0.116 0.25 0.9954 0.25 -1.25 -1.1567 -2.25 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 0.2909 -1.4317 0.4524 0.1864 -1.5362 -0.7272 0.8909 0.56 2.56 0.13 3.37 0.94 -0.94 -2.56 2.2131 3.06 3.2869 -1.87 0.8573 -3.37 -1.9333 1.0188 -2.1026 -0.792 1.5075 0.826 0.2743 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 31 25 29 23 25 20 26 14 15 13 20 21 17 18 17 18 26 27 28 29 30 31 32 32 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 754 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 00000371E07BB8006000000000000000000000000001600000003C608000000000000001F400001E04104000000C0CC5DE06BFD792C8140AAC0335777470C2F8B9753A3909D83D3E7CD88C66FAE4FD9B9431A86CD113C8E9E7B4C0B00E10000100000000002000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-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-(3-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-(3-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-(3-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-(3-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-(3-methoxyphenyl)thiazol-2-yl]-3-(tosylamino)isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H20N4O4S2/c1-15-6-8-18(9-7-15)33(29,30)27-20-13-24-11-10-19(20)22(28)26-23-25-21(14-32-23)16-4-3-5-17(12-16)31-2/h3-14,27H,1-2H3,(H,25,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IEGHGIFTMBLHBX-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(=CC=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(=CC=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