C181H180Cl6F8N16O28S12 — CID 173121386
N-(5-butan-2-yl-2-pyridinyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(3-tert-butylphenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-naphthalen-1-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-naphthalen-2-ylpropanamide;N-[5-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-fluorophenyl)sulfonyl-N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-2-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 173121386) has the molecular formula C181H180Cl6F8N16O28S12 and a molecular weight of 3777.02 g/mol. Its IUPAC name is N-(5-butan-2-yl-2-pyridinyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(3-tert-butylphenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-naphthalen-1-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-naphthalen-2-ylpropanamide;N-[5-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-fluorophenyl)sulfonyl-N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-2-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
| Compound Name | N-(5-butan-2-yl-2-pyridinyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(3-tert-butylphenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-naphthalen-1-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-naphthalen-2-ylpropanamide;N-[5-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-fluorophenyl)sulfonyl-N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-2-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide |
|---|---|
| PubChem CID | 173121386 |
| Molecular Formula | C181H180Cl6F8N16O28S12 |
| Molecular Weight | 3777.02 g/mol |
| Exact Mass | 3770.78 |
| IUPAC Name | N-(5-butan-2-yl-2-pyridinyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(3-tert-butylphenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-naphthalen-1-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-naphthalen-2-ylpropanamide;N-[5-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-fluorophenyl)sulfonyl-N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-2-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide |
| SMILES | CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(N2CCOCC2)nc1.CC(C)(C(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1ncc(-c2ccc(F)c(F)c2)s1)S(=O)(=O)c1ccc(F)cc1.CC(C)(C(=O)Nc1ncc(-c2ccc(F)cc2)s1)S(=O)(=O)c1ccc(F)cc1.CC(C)(C)c1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.CC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1.CCC(C)c1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)nc1 |
| InChI | InChI=1S/C25H21ClN2O3S2.2C20H18ClNO3S.2C20H24ClNO3S.C19H23ClN2O3S.C19H21F3N4O4S.C19H15F3N2O3S2.C19H16F2N2O3S2/c1-25(2,33(30,31)20-15-13-19(26)14-16-20)23(29)28-24-27-21(17-9-5-3-6-10-17)22(32-24)18-11-7-4-8-12-18;1-20(2,26(24,25)16-12-10-15(21)11-13-16)19(23)22-18-9-5-7-14-6-3-4-8-17(14)18;1-20(2,26(24,25)18-11-8-16(21)9-12-18)19(23)22-17-10-7-14-5-3-4-6-15(14)13-17;1-19(2,3)14-6-10-16(11-7-14)22-18(23)20(4,5)26(24,25)17-12-8-15(21)9-13-17;1-19(2,3)14-7-6-8-16(13-14)22-18(23)20(4,5)26(24,25)17-11-9-15(21)10-12-17;1-5-13(2)14-6-11-17(21-12-14)22-18(23)19(3,4)26(24,25)16-9-7-15(20)8-10-16;1-18(2,17(27)25-15-5-3-13(11-23-15)19(20,21)22)31(28,29)14-4-6-16(24-12-14)26-7-9-30-10-8-26;1-19(2,29(26,27)13-6-4-12(20)5-7-13)17(25)24-18-23-10-16(28-18)11-3-8-14(21)15(22)9-11;1-19(2,28(25,26)15-9-7-14(21)8-10-15)17(24)23-18-22-11-16(27-18)12-3-5-13(20)6-4-12/h3-16H,1-2H3,(H,27,28,29);2*3-13H,1-2H3,(H,22,23);2*6-13H,1-5H3,(H,22,23);6-13H,5H2,1-4H3,(H,21,22,23);3-6,11-12H,7-10H2,1-2H3,(H,23,25,27);3-10H,1-2H3,(H,23,24,25);3-11H,1-2H3,(H,22,23,24) |
| InChIKey | ZBPNPPKOFMTPSP-UHFFFAOYSA-N |
| XLogP | 41.01 |
| TPSA | 658.97 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 251 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3777.02 |
| LogP ≤ 5 | 41.01 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 38 |