C102H103N15O15S4 — CID 158274278
N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;3-cyano-N-hydroxy-1-(4-methoxyphenyl)indole-6-carboxamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide (PubChem CID 158274278) has the molecular formula C102H103N15O15S4 and a molecular weight of 1907.30 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;3-cyano-N-hydroxy-1-(4-methoxyphenyl)indole-6-carboxamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide.
| Compound Name | N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;3-cyano-N-hydroxy-1-(4-methoxyphenyl)indole-6-carboxamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide |
|---|---|
| PubChem CID | 158274278 |
| Molecular Formula | C102H103N15O15S4 |
| Molecular Weight | 1907.30 g/mol |
| Exact Mass | 1905.66 |
| IUPAC Name | N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;3-cyano-N-hydroxy-1-(4-methoxyphenyl)indole-6-carboxamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide |
| SMILES | CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(C#N)c3ccc(C(=O)NO)cc32)cc1.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C3CCC3)c2c1 |
| InChI | InChI=1S/C22H23N3O3S.C21H21N3O3S.2C21H23N3O3S.C17H13N3O3/c1-3-29(26,27)24-16-9-7-15(8-10-16)22-20(14-23)19-12-11-18(28-2)13-21(19)25(22)17-5-4-6-17;1-27-17-10-11-18-19(13-22)21(24(20(18)12-17)16-4-3-5-16)14-6-8-15(9-7-14)23-28(2,25)26;1-5-24-20-12-17(27-4)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-28(25,26)14(2)3;1-4-12-24-20-13-17(27-3)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(25,26)5-2;1-23-14-5-3-13(4-6-14)20-10-12(9-18)15-7-2-11(8-16(15)20)17(21)19-22/h7-13,17,24H,3-6H2,1-2H3;6-12,16,23H,3-5H2,1-2H3;6-12,14,23H,5H2,1-4H3;6-11,13,23H,4-5,12H2,1-3H3;2-8,10,22H,1H3,(H,19,21) |
| InChIKey | GJKKGZBYOXUCHM-UHFFFAOYSA-N |
| XLogP | 20.31 |
| TPSA | 423.76 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1907.30 |
| LogP ≤ 5 | 20.31 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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