C129H131F3N18O14S2 — CID 161351918
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 161351918) has the molecular formula C129H131F3N18O14S2 and a molecular weight of 2278.71 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.
| Compound Name | N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 161351918 |
| Molecular Formula | C129H131F3N18O14S2 |
| Molecular Weight | 2278.71 g/mol |
| Exact Mass | 2276.95 |
| IUPAC Name | N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate |
| SMILES | CCCS(=O)(=O)Nc1cccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C)cc1.CCn1c(-c2ccc(C(=O)NC(C)C)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC(C)C)cc21 |
| InChI | InChI=1S/C23H25N3O3.C22H23N3O3.C22H23N3O2.C22H21N3O.C21H20F3N3O2S.C19H19N3O3S/c1-5-26-21-13-18(29-15(3)4)10-11-19(21)20(14-24)22(26)16-8-7-9-17(12-16)25-23(27)28-6-2;1-5-25-20-12-17(28-14(2)3)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)27-4;1-5-25-20-11-10-17(27-4)12-18(20)19(13-23)21(25)15-6-8-16(9-7-15)22(26)24-14(2)3;1-2-25-20-9-4-3-8-18(20)19(14-23)21(25)15-10-12-17(13-11-15)24-22(26)16-6-5-7-16;1-3-10-30(28,29)26-16-7-5-6-14(11-16)20-18(13-25)17-9-8-15(21(22,23)24)12-19(17)27(20)4-2;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-11-15(25-3)9-10-18(16)22(19)2/h7-13,15H,5-6H2,1-4H3,(H,25,27);6-12,14H,5H2,1-4H3,(H,24,26);6-12,14H,5H2,1-4H3,(H,24,26);3-4,8-13,16H,2,5-7H2,1H3,(H,24,26);5-9,11-12,26H,3-4,10H2,1-2H3;5-11,21H,4H2,1-3H3 |
| InChIKey | VOAOLWUBPRPJDV-UHFFFAOYSA-N |
| XLogP | 28.86 |
| TPSA | 436.44 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2278.71 |
| LogP ≤ 5 | 28.86 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |