C128H138N18O16S4 — CID 158630369
6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide (PubChem CID 158630369) has the molecular formula C128H138N18O16S4 and a molecular weight of 2312.89 g/mol. Its IUPAC name is 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide.
| Compound Name | 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide |
|---|---|
| PubChem CID | 158630369 |
| Molecular Formula | C128H138N18O16S4 |
| Molecular Weight | 2312.89 g/mol |
| Exact Mass | 2310.94 |
| IUPAC Name | 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide |
| SMILES | CCCS(=O)(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOc1ccc(-c2c(C#N)c3ccc(N)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NC(=O)OC(C)(C)C)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)C4CC4)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)CC)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(C)(=O)=O)cc3n2CC)cc1 |
| InChI | InChI=1S/C24H27N3O3.C22H23N3O3S.C22H25N3O3S.C21H23N3O3S.C20H21N3O3S.C19H19N3O/c1-6-27-21-14-17(26-23(28)30-24(3,4)5)10-13-19(21)20(15-25)22(27)16-8-11-18(12-9-16)29-7-2;1-3-25-21-13-16(24-29(26,27)18-10-11-18)7-12-19(21)20(14-23)22(25)15-5-8-17(9-6-15)28-4-2;1-4-13-29(26,27)24-17-9-12-19-20(15-23)22(25(5-2)21(19)14-17)16-7-10-18(11-8-16)28-6-3;1-4-24-20-13-16(23-28(25,26)6-3)9-12-18(20)19(14-22)21(24)15-7-10-17(11-8-15)27-5-2;1-4-23-19-12-15(22-27(3,24)25)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)26-5-2;1-3-22-18-11-14(21)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)23-4-2/h8-14H,6-7H2,1-5H3,(H,26,28);5-9,12-13,18,24H,3-4,10-11H2,1-2H3;7-12,14,24H,4-6,13H2,1-3H3;7-13,23H,4-6H2,1-3H3;6-12,22H,4-5H2,1-3H3;5-11H,3-4,21H2,1-2H3 |
| InChIKey | HZCRNQPDSNEBRN-UHFFFAOYSA-N |
| XLogP | 27.71 |
| TPSA | 476.73 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2312.89 |
| LogP ≤ 5 | 27.71 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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