C123H132N18O18S6 — CID 158461980
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide (PubChem CID 158461980) has the molecular formula C123H132N18O18S6 and a molecular weight of 2342.92 g/mol. Its IUPAC name is N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide.
| Compound Name | N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide |
|---|---|
| PubChem CID | 158461980 |
| Molecular Formula | C123H132N18O18S6 |
| Molecular Weight | 2342.92 g/mol |
| Exact Mass | 2340.83 |
| IUPAC Name | N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide |
| SMILES | CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCC)cc21.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCC)cc21.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1 |
| InChI | InChI=1S/C22H25N3O3S.2C21H23N3O3S.2C20H21N3O3S.C19H19N3O3S/c1-4-13-25-21-14-18(28-5-2)11-12-19(21)20(15-23)22(25)16-7-9-17(10-8-16)24-29(26,27)6-3;1-4-12-24-20-13-17(27-5-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3;1-4-23-19-12-16(26-5-2)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22-27(3,24)25;1-4-26-16-10-11-17-18(13-21)20(23(3)19(17)12-16)14-6-8-15(9-7-14)22-27(24,25)5-2;1-4-25-15-9-10-16-17(12-20)19(22(2)18(16)11-15)13-5-7-14(8-6-13)21-26(3,23)24/h7-12,14,24H,4-6,13H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;7-13,23H,4-6H2,1-3H3;2*6-12,22H,4-5H2,1-3H3;5-11,21H,4H2,1-3H3 |
| InChIKey | HFHFXRNBFDCTBM-UHFFFAOYSA-N |
| XLogP | 24.81 |
| TPSA | 504.72 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2342.92 |
| LogP ≤ 5 | 24.81 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |