C127H177N25O22S8 — CID 157194413
N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide (PubChem CID 157194413) has the molecular formula C127H177N25O22S8 and a molecular weight of 2662.50 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide.
| Compound Name | N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide |
|---|---|
| PubChem CID | 157194413 |
| Molecular Formula | C127H177N25O22S8 |
| Molecular Weight | 2662.50 g/mol |
| Exact Mass | 2660.13 |
| IUPAC Name | N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide |
| SMILES | CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2csnn2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ccc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1 |
| InChI | InChI=1S/C22H29N3O3S.C22H27N3O3S.C19H30N4O4S.C17H24N4O3S.C16H22N4O3S2.C16H23N3O3S.C15H22N4O3S/c2*1-17(2)29(27,28)23-15-6-5-9-22(26)24-19-10-12-20(13-11-19)25-16-14-18-7-3-4-8-21(18)25;1-14(2)28(26,27)21-12-4-3-7-18(24)22-15-8-10-16(11-9-15)23-13-5-6-17(23)19(20)25;1-14(2)25(23,24)19-12-4-3-6-17(22)20-15-7-9-16(10-8-15)21-13-5-11-18-21;1-12(2)25(22,23)17-10-4-3-5-16(21)18-14-8-6-13(7-9-14)15-11-24-20-19-15;1-12(2)23(21,22)18-9-4-3-5-16(20)19-14-6-7-15-13(11-14)8-10-17-15;1-11(2)23(21,22)17-8-4-3-5-15(20)18-13-6-7-14-12(9-13)10-16-19-14/h3-4,7-8,10-13,17,23H,5-6,9,14-16H2,1-2H3,(H,24,26);3-4,7-8,10-14,16-17,23H,5-6,9,15H2,1-2H3,(H,24,26);8-11,14,17,21H,3-7,12-13H2,1-2H3,(H2,20,25)(H,22,24);5,7-11,13-14,19H,3-4,6,12H2,1-2H3,(H,20,22);6-9,11-12,17H,3-5,10H2,1-2H3,(H,18,21);6-8,10-12,17-18H,3-5,9H2,1-2H3,(H,19,20);6-7,9-11,17H,3-5,8H2,1-2H3,(H,16,19)(H,18,20)/t;;17-;;;;/m..0..../s1 |
| InChIKey | AQBQDJQFHQGZKG-OYWNKGDXSA-N |
| XLogP | 19.02 |
| TPSA | 669.46 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2662.50 |
| LogP ≤ 5 | 19.02 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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