C139H166F15N13O17S5 — CID 160931482
1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;bis(1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide) (PubChem CID 160931482) has the molecular formula C139H166F15N13O17S5 and a molecular weight of 2736.24 g/mol. Its IUPAC name is 1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;bis(1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide).
| Compound Name | 1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;bis(1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide) |
|---|---|
| PubChem CID | 160931482 |
| Molecular Formula | C139H166F15N13O17S5 |
| Molecular Weight | 2736.24 g/mol |
| Exact Mass | 2734.09 |
| IUPAC Name | 1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;bis(1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide) |
| SMILES | CCn1c(CC2CCC(C(F)(F)F)CC2)cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(CC2CCC(C(F)(F)F)CC2)cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(CC2CCC(C(F)(F)F)CC2)cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(CC2CCC(C(F)(F)F)CC2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(CC2CCC(C(F)(F)F)CC2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21 |
| InChI | InChI=1S/C29H35F3N2O4S.C28H34F3N3O4S.C28H33F3N2O3S.2C27H32F3N3O3S/c1-3-34-24(15-19-5-10-23(11-6-19)29(30,31)32)17-22-16-21(9-14-27(22)34)28(36)33-26(18-35)20-7-12-25(13-8-20)39(37,38)4-2;1-3-34-22(13-18-5-8-21(9-6-18)28(29,30)31)15-20-14-19(7-12-26(20)34)27(36)33-25(17-35)24-11-10-23(16-32-24)39(37,38)4-2;1-3-33-24(15-19-5-10-23(11-6-19)28(29,30)31)17-22-16-21(9-14-26(22)33)27(34)32-18-20-7-12-25(13-8-20)37(35,36)4-2;2*1-3-33-23(13-18-5-8-21(9-6-18)27(28,29)30)15-20-14-19(7-12-25(20)33)26(34)32-16-22-10-11-24(17-31-22)37(35,36)4-2/h7-9,12-14,16-17,19,23,26,35H,3-6,10-11,15,18H2,1-2H3,(H,33,36);7,10-12,14-16,18,21,25,35H,3-6,8-9,13,17H2,1-2H3,(H,33,36);7-9,12-14,16-17,19,23H,3-6,10-11,15,18H2,1-2H3,(H,32,34);2*7,10-12,14-15,17-18,21H,3-6,8-9,13,16H2,1-2H3,(H,32,34)/t19?,23?,26-;18?,21?,25-;;;/m00.../s1 |
| InChIKey | STICZAXAARPDDE-NPOBFSPHSA-N |
| XLogP | 28.73 |
| TPSA | 419.98 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 189 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2736.24 |
| LogP ≤ 5 | 28.73 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 25 |