C146H138Cl4F20N10O20S5 — CID 159867140
2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-1-(2-fluoroethyl)indole-5-carboxamide;1-(dimethylamino)-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indene-5-carboxamide (PubChem CID 159867140) has the molecular formula C146H138Cl4F20N10O20S5 and a molecular weight of 3034.87 g/mol. Its IUPAC name is 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-1-(2-fluoroethyl)indole-5-carboxamide;1-(dimethylamino)-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indene-5-carboxamide.
| Compound Name | 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-1-(2-fluoroethyl)indole-5-carboxamide;1-(dimethylamino)-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indene-5-carboxamide |
|---|---|
| PubChem CID | 159867140 |
| Molecular Formula | C146H138Cl4F20N10O20S5 |
| Molecular Weight | 3034.87 g/mol |
| Exact Mass | 3030.71 |
| IUPAC Name | 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-1-(2-fluoroethyl)indole-5-carboxamide;1-(dimethylamino)-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indene-5-carboxamide |
| SMILES | CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc3c(c2)C=C(Cc2ccccc2C(F)(F)F)C3N(C)C)cc1.CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3CCF)cc1.CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3CCF)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cc3cc(Cc4ccc(Cl)cc4C(F)(F)F)n(CCF)c3cc2F)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3CCF)cc1 |
| InChI | InChI=1S/C30H31F3N2O4S.C29H26ClF5N2O4S.3C29H27ClF4N2O4S/c1-4-40(38,39)24-12-9-19(10-13-24)27(18-36)34-29(37)21-11-14-25-22(16-21)17-23(28(25)35(2)3)15-20-7-5-6-8-26(20)30(31,32)33;1-2-42(40,41)22-7-4-17(5-8-22)26(16-38)36-28(39)23-13-19-12-21(37(10-9-31)27(19)15-25(23)32)11-18-3-6-20(30)14-24(18)29(33,34)35;3*1-2-41(39,40)24-8-4-18(5-9-24)26(17-37)35-28(38)20-6-10-27-21(13-20)15-23(36(27)12-11-31)14-19-3-7-22(30)16-25(19)29(32,33)34/h5-14,16-17,27-28,36H,4,15,18H2,1-3H3,(H,34,37);3-8,12-15,26,38H,2,9-11,16H2,1H3,(H,36,39);3*3-10,13,15-16,26,37H,2,11-12,14,17H2,1H3,(H,35,38)/t;3*26-;/m.010./s1 |
| InChIKey | NRWIYAUVHHTCEX-ZCWKYYFGSA-N |
| XLogP | 29.87 |
| TPSA | 440.31 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 205 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3034.87 |
| LogP ≤ 5 | 29.87 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 25 |