C129H130N18O16S4 — CID 157182024
N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 157182024) has the molecular formula C129H130N18O16S4 and a molecular weight of 2316.84 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile.
| Compound Name | N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile |
|---|---|
| PubChem CID | 157182024 |
| Molecular Formula | C129H130N18O16S4 |
| Molecular Weight | 2316.84 g/mol |
| Exact Mass | 2314.88 |
| IUPAC Name | N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile |
| SMILES | CCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.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(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21 |
| InChI | InChI=1S/C23H21N3O2.C22H23N3O3S.C22H21N3O2.C21H21N3O3S.C21H23N3O3S.C20H21N3O3S/c1-4-23(27)25-17-9-6-16(7-10-17)8-13-21-20(15-24)19-12-11-18(28-3)14-22(19)26(21)5-2;1-3-29(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;1-3-25-20-12-17(27-2)10-11-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-3-23-20-13-17(27-2)9-10-18(20)19(14-22)21(23)15-5-7-16(8-6-15)24-11-4-12-28(24,25)26;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;1-4-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22-27(24,25)5-2/h6-7,9-12,14H,4-5H2,1-3H3,(H,25,27);7-13,17,24H,3-6H2,1-2H3;6-12,15H,3-5H2,1-2H3,(H,24,26);5-10,13H,3-4,11-12H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3;6-12,22H,4-5H2,1-3H3 |
| InChIKey | AORGSFVABGDFHO-UHFFFAOYSA-N |
| XLogP | 25.60 |
| TPSA | 461.79 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2316.84 |
| LogP ≤ 5 | 25.60 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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