C144H160F12N20O24S8 — CID 173118041
2-(benzenesulfonyl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methylpropanamide;2-(benzenesulfonyl)-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide;2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide;2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-2-(4-methylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylphenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-methyl-2-(4-methylphenyl)sulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 173118041) has the molecular formula C144H160F12N20O24S8 and a molecular weight of 3039.49 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methylpropanamide;2-(benzenesulfonyl)-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide;2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide;2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-2-(4-methylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylphenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-methyl-2-(4-methylphenyl)sulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
| Compound Name | 2-(benzenesulfonyl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methylpropanamide;2-(benzenesulfonyl)-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide;2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide;2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-2-(4-methylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylphenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-methyl-2-(4-methylphenyl)sulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide |
|---|---|
| PubChem CID | 173118041 |
| Molecular Formula | C144H160F12N20O24S8 |
| Molecular Weight | 3039.49 g/mol |
| Exact Mass | 3036.95 |
| IUPAC Name | 2-(benzenesulfonyl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methylpropanamide;2-(benzenesulfonyl)-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide;2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide;2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-2-(4-methylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylphenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-methyl-2-(4-methylphenyl)sulfonyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide |
| SMILES | CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccccc1.CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccccc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(-c3ccccc3)nn2C)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1.Cn1nc(-c2ccccc2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccccc1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccccc1 |
| InChI | InChI=1S/C21H23N3O3S.C20H21N3O3S.C19H27N3O3S.C18H25N3O3S.2C17H17F3N2O3S.2C16H15F3N2O3S/c1-15-10-12-17(13-11-15)28(26,27)21(2,3)20(25)22-19-14-18(23-24(19)4)16-8-6-5-7-9-16;1-20(2,27(25,26)16-12-8-5-9-13-16)19(24)21-18-14-17(22-23(18)3)15-10-6-4-7-11-15;1-13-8-10-14(11-9-13)26(24,25)19(5,6)17(23)20-16-12-15(18(2,3)4)21-22(16)7;1-17(2,3)14-12-15(21(6)20-14)19-16(22)18(4,5)25(23,24)13-10-8-7-9-11-13;1-11-4-7-13(8-5-11)26(24,25)16(2,3)15(23)22-14-9-6-12(10-21-14)17(18,19)20;1-11-7-9-12(10-8-11)26(24,25)16(2,3)15(23)22-14-6-4-5-13(21-14)17(18,19)20;1-15(2,25(23,24)11-7-4-3-5-8-11)14(22)21-13-10-6-9-12(20-13)16(17,18)19;1-15(2,25(23,24)12-6-4-3-5-7-12)14(22)21-13-9-8-11(10-20-13)16(17,18)19/h5-14H,1-4H3,(H,22,25);4-14H,1-3H3,(H,21,24);8-12H,1-7H3,(H,20,23);7-12H,1-6H3,(H,19,22);2*4-10H,1-3H3,(H,21,22,23);2*3-10H,1-2H3,(H,20,21,22) |
| InChIKey | YWZLKUOWYXJZLF-UHFFFAOYSA-N |
| XLogP | 26.77 |
| TPSA | 628.76 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3039.49 |
| LogP ≤ 5 | 26.77 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 36 |