C121H124N18O19S5 — CID 157146235
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile (PubChem CID 157146235) has the molecular formula C121H124N18O19S5 and a molecular weight of 2294.76 g/mol. Its IUPAC name is 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile.
| Compound Name | 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile |
|---|---|
| PubChem CID | 157146235 |
| Molecular Formula | C121H124N18O19S5 |
| Molecular Weight | 2294.76 g/mol |
| Exact Mass | 2292.79 |
| IUPAC Name | 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile |
| SMILES | CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21 |
| InChI | InChI=1S/C22H23N3O4S.C22H23N3O3.2C20H21N3O3S.C19H19N3O3S.C18H17N3O3S/c1-3-25-21-14-17(28-2)6-9-19(21)20(15-23)22(25)16-4-7-18(8-5-16)30(26,27)24-10-12-29-13-11-24;1-4-25-21-13-18(27-3)9-10-19(21)20(14-23)22(25)16-5-7-17(8-6-16)28-12-11-24-15(2)26;1-5-23-19-12-15(26-4)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)27(24,25)22(2)3;1-4-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22-27(24,25)5-2;1-4-22-18-11-14(25-3)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)26(23,24)21-2;1-3-21-17-10-13(24-2)6-9-15(17)16(11-19)18(21)12-4-7-14(8-5-12)25(20,22)23/h4-9,14H,3,10-13H2,1-2H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);6-12H,5H2,1-4H3;6-12,22H,4-5H2,1-3H3;5-11,21H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23) |
| InChIKey | AKSRCJIAXDQSKU-UHFFFAOYSA-N |
| XLogP | 20.35 |
| TPSA | 502.52 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2294.76 |
| LogP ≤ 5 | 20.35 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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