C131H130F5N13O24S5 — CID 167702985
N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide (PubChem CID 167702985) has the molecular formula C131H130F5N13O24S5 and a molecular weight of 2525.87 g/mol. Its IUPAC name is N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide.
| Compound Name | N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide |
|---|---|
| PubChem CID | 167702985 |
| Molecular Formula | C131H130F5N13O24S5 |
| Molecular Weight | 2525.87 g/mol |
| Exact Mass | 2523.79 |
| IUPAC Name | N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide |
| SMILES | CCNS(=O)(=O)c1ccc(CC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)c(OC)c1.COc1cc(S(=O)(=O)NC2COC2)ccc1CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC23CC(C2)C3)cc1)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC2CCC2)cc1)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC2COC2)cc1)c1ccc(F)cc1 |
| InChI | InChI=1S/C27H26FN3O4S.C27H27FN2O6S.C26H26FN3O4S.C26H27FN2O5S.C25H24FN3O5S/c28-21-8-6-20(7-9-21)26(33)30-24(14-22-3-1-2-12-29-22)25(32)13-18-4-10-23(11-5-18)36(34,35)31-27-15-19(16-27)17-27;1-35-26-15-23(37(33,34)30-22-16-36-17-22)12-9-20(26)14-25(31)24(13-18-5-3-2-4-6-18)29-27(32)19-7-10-21(28)11-8-19;27-20-11-9-19(10-12-20)26(32)29-24(17-22-4-1-2-15-28-22)25(31)16-18-7-13-23(14-8-18)35(33,34)30-21-5-3-6-21;1-3-28-35(32,33)22-14-11-20(25(17-22)34-2)16-24(30)23(15-18-7-5-4-6-8-18)29-26(31)19-9-12-21(27)13-10-19;26-19-8-6-18(7-9-19)25(31)28-23(14-20-3-1-2-12-27-20)24(30)13-17-4-10-22(11-5-17)35(32,33)29-21-15-34-16-21/h1-12,19,24,31H,13-17H2,(H,30,33);2-12,15,22,24,30H,13-14,16-17H2,1H3,(H,29,32);1-2,4,7-15,21,24,30H,3,5-6,16-17H2,(H,29,32);4-14,17,23,28H,3,15-16H2,1-2H3,(H,29,31);1-12,21,23,29H,13-16H2,(H,28,31)/t19?,24-,27?;2*24-;2*23-/m00000/s1 |
| InChIKey | YREZGFFYDDTQCV-HSCFBGQPSA-N |
| XLogP | 14.41 |
| TPSA | 537.29 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2525.87 |
| LogP ≤ 5 | 14.41 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 27 |