C98H93F10N15O12S2 — CID 158881056
1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 158881056) has the molecular formula C98H93F10N15O12S2 and a molecular weight of 1927.03 g/mol. Its IUPAC name is 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile.
| Compound Name | 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile |
|---|---|
| PubChem CID | 158881056 |
| Molecular Formula | C98H93F10N15O12S2 |
| Molecular Weight | 1927.03 g/mol |
| Exact Mass | 1925.64 |
| IUPAC Name | 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile |
| SMILES | CCOC(=O)NC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2cc3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)cc2ccc(OC(F)F)cc21.CCn1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C#N)c2cc(OC)ccc21.CCn1c(NC)c(C#N)c2ccc(C(F)(F)F)cc21 |
| InChI | InChI=1S/C26H21F3N4O2.C22H22N4O4.C19H20F2N2O3S.C18H18F2N2O3S.C13H12F3N3/c1-3-33-23-11-10-20(35-2)14-21(23)22(15-30)24(33)16-6-4-8-18(12-16)31-25(34)32-19-9-5-7-17(13-19)26(27,28)29;1-4-26-19-10-9-16(29-3)12-17(19)18(13-23)20(26)14-7-6-8-15(11-14)24-21(27)25-22(28)30-5-2;1-3-23-17(11-14-7-10-16(12-18(14)23)26-19(20)21)13-5-8-15(9-6-13)22-27(24,25)4-2;1-3-26(23,24)21-14-7-4-12(5-8-14)16-10-13-6-9-15(25-18(19)20)11-17(13)22(16)2;1-3-19-11-6-8(13(14,15)16)4-5-9(11)10(7-17)12(19)18-2/h4-14H,3H2,1-2H3,(H2,31,32,34);6-12H,4-5H2,1-3H3,(H2,24,25,27,28);5-12,19,22H,3-4H2,1-2H3;4-11,18,21H,3H2,1-2H3;4-6,18H,3H2,1-2H3 |
| InChIKey | JDAKOGIMPSWCQW-UHFFFAOYSA-N |
| XLogP | 23.85 |
| TPSA | 345.87 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 137 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1927.03 |
| LogP ≤ 5 | 23.85 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 21 |