C155H170F9N13O28S7 — CID 159181677
N-[4-(2-aminopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;N-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (PubChem CID 159181677) has the molecular formula C155H170F9N13O28S7 and a molecular weight of 3058.58 g/mol. Its IUPAC name is N-[4-(2-aminopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;N-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.
| Compound Name | N-[4-(2-aminopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;N-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide |
|---|---|
| PubChem CID | 159181677 |
| Molecular Formula | C155H170F9N13O28S7 |
| Molecular Weight | 3058.58 g/mol |
| Exact Mass | 3056.02 |
| IUPAC Name | N-[4-(2-aminopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;N-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide |
| SMILES | COc1cc(-c2cc(F)cc(C(C)(C)F)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)cs2)ccn1.COc1cc(-c2cc(F)cc(C(C)(C)F)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)cc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)N)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)c(F)c2)ccn1.COc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)cc2C)CCC3)ccn1.Cc1cc(C(C)(C)O)ccc1S(=O)(=O)NC(=O)Cc1c(-c2cccnc2)cc(F)cc1C(C)C |
| InChI | InChI=1S/C27H30N2O5S.C26H29F2N3O4S.2C26H28F2N2O5S.C26H29FN2O4S.C24H26F2N2O5S2/c1-17-14-20(27(2,3)31)9-11-24(17)35(32,33)29-25(30)16-23-21-7-5-6-18(21)8-10-22(23)19-12-13-28-26(15-19)34-4;1-15(2)19-11-17(27)12-20(16-8-9-30-25(10-16)35-5)21(19)14-24(32)31-36(33,34)18-6-7-22(23(28)13-18)26(3,4)29;1-25(2,28)22-14-18(27)13-20(16-10-11-29-24(12-16)35-5)21(22)15-23(31)30-36(33,34)19-8-6-17(7-9-19)26(3,4)32;1-15(2)19-11-17(27)12-20(16-8-9-29-25(10-16)35-5)21(19)14-24(31)30-36(33,34)18-6-7-22(23(28)13-18)26(3,4)32;1-16(2)21-12-20(27)13-22(18-7-6-10-28-15-18)23(21)14-25(30)29-34(32,33)24-9-8-19(11-17(24)3)26(4,5)31;1-23(2,26)19-11-16(25)10-17(14-6-7-27-21(8-14)33-5)18(19)12-20(29)28-35(31,32)22-9-15(13-34-22)24(3,4)30/h8-15,31H,5-7,16H2,1-4H3,(H,29,30);6-13,15H,14,29H2,1-5H3,(H,31,32);6-14,32H,15H2,1-5H3,(H,30,31);6-13,15,32H,14H2,1-5H3,(H,30,31);6-13,15-16,31H,14H2,1-5H3,(H,29,30);6-11,13,30H,12H2,1-5H3,(H,28,29) |
| InChIKey | KMYXCRIVHTVYPI-UHFFFAOYSA-N |
| XLogP | 26.07 |
| TPSA | 630.10 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3058.58 |
| LogP ≤ 5 | 26.07 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 36 |