C149H158F6N14O28S6 — CID 159458166
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-isocyano-2-methylphenyl)sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-phenylethylsulfonyl)acetamide;methyl 4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-3-methylbenzoate (PubChem CID 159458166) has the molecular formula C149H158F6N14O28S6 and a molecular weight of 2899.36 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-isocyano-2-methylphenyl)sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-phenylethylsulfonyl)acetamide;methyl 4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-3-methylbenzoate.
| Compound Name | N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-isocyano-2-methylphenyl)sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-phenylethylsulfonyl)acetamide;methyl 4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-3-methylbenzoate |
|---|---|
| PubChem CID | 159458166 |
| Molecular Formula | C149H158F6N14O28S6 |
| Molecular Weight | 2899.36 g/mol |
| Exact Mass | 2896.96 |
| IUPAC Name | N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-isocyano-2-methylphenyl)sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-phenylethylsulfonyl)acetamide;methyl 4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-3-methylbenzoate |
| SMILES | CC(C)c1cc(F)cc(-c2ccncc2)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.COC(=O)c1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c(C)c1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C(C)c2ccccc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CO)c2)ccn1.[C-]#[N+]c1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c(C)c1 |
| InChI | InChI=1S/C26H27FN2O6S.C25H24FN3O4S.C25H28FN3O3S.C25H27FN2O4S.C24H27FN2O6S.C24H25FN2O5S/c1-15(2)20-12-19(27)13-21(17-8-9-28-25(11-17)34-4)22(20)14-24(30)29-36(32,33)23-7-6-18(10-16(23)3)26(31)35-5;1-15(2)20-12-18(26)13-21(17-8-9-28-25(11-17)33-5)22(20)14-24(30)29-34(31,32)23-7-6-19(27-4)10-16(23)3;1-17(2)22-13-20(26)14-23(19-9-11-27-12-10-19)24(22)15-25(30)28-33(31,32)21-7-5-18(6-8-21)16-29(3)4;1-16(2)21-13-20(26)14-22(19-10-11-27-25(12-19)32-4)23(21)15-24(29)28-33(30,31)17(3)18-8-6-5-7-9-18;1-14(2)18-10-17(25)11-19(15-6-7-26-22(8-15)32-5)20(18)12-21(28)27-34(30,31)23-9-16(13-33-23)24(3,4)29;1-15(2)20-11-18(25)12-21(17-7-8-26-24(10-17)32-3)22(20)13-23(29)27-33(30,31)19-6-4-5-16(9-19)14-28/h6-13,15H,14H2,1-5H3,(H,29,30);6-13,15H,14H2,1-3,5H3,(H,29,30);5-14,17H,15-16H2,1-4H3,(H,28,30);5-14,16-17H,15H2,1-4H3,(H,28,29);6-11,13-14,29H,12H2,1-5H3,(H,27,28);4-12,15,28H,13-14H2,1-3H3,(H,27,29) |
| InChIKey | LUFZUIIXTCYEAP-UHFFFAOYSA-N |
| XLogP | 25.43 |
| TPSA | 590.43 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2899.36 |
| LogP ≤ 5 | 25.43 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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