C274H411ClF17N35O51S14 — CID 157260091
N-[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-5-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(4R)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)cyclohexane-1-carboxamide (PubChem CID 157260091) has the molecular formula C274H411ClF17N35O51S14 and a molecular weight of 5818.85 g/mol. Its IUPAC name is N-[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-5-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(4R)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)cyclohexane-1-carboxamide.
| Compound Name | N-[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-5-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(4R)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 157260091 |
| Molecular Formula | C274H411ClF17N35O51S14 |
| Molecular Weight | 5818.85 g/mol |
| Exact Mass | 5813.62 |
| IUPAC Name | N-[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-5-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;(4R)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)cyclohexane-1-carboxamide |
| SMILES | CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)cc2N2C[C@@H](C)O[C@@H](C)C2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(Cl)c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(F)c2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccccc2F)CC1.CC1CC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC[C@H]1NS(=O)(=O)C(C)C.COc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1.Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(C)c1N1C[C@@H](C)O[C@@H](C)C1.Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(F)c1N1C[C@@H](C)O[C@@H](C)C1 |
| InChI | InChI=1S/C24H39N3O4S.2C23H36FN3O4S.C23H37N3O4S.C22H34ClN3O4S.C22H34FN3O4S.C22H35N3O4S.C17H23F3N2O4S.C17H23F3N2O3S.C17H26N2O4S.2C16H21F3N2O3S.2C16H23FN2O3S/c1-15(2)32(29,30)26-21-9-7-20(8-10-21)24(28)25-22-11-16(3)23(17(4)12-22)27-13-18(5)31-19(6)14-27;1-14(2)32(29,30)26-21-8-6-18(10-15(21)3)23(28)25-22-9-7-19(11-20(22)24)27-12-16(4)31-17(5)13-27;1-14(2)32(29,30)26-19-8-6-18(7-9-19)23(28)25-20-10-15(3)22(21(24)11-20)27-12-16(4)31-17(5)13-27;1-15(2)31(28,29)25-20-8-6-19(7-9-20)23(27)24-22-11-10-21(12-16(22)3)26-13-17(4)30-18(5)14-26;1-14(2)31(28,29)25-18-7-5-17(6-8-18)22(27)24-19-9-10-21(20(23)11-19)26-12-15(3)30-16(4)13-26;1-14(2)31(28,29)25-19-8-5-17(6-9-19)22(27)24-20-10-7-18(23)11-21(20)26-12-15(3)30-16(4)13-26;1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25;1-11(2)27(24,25)22-14-5-3-12(4-6-14)16(23)21-13-7-9-15(10-8-13)26-17(18,19)20;1-11(2)26(24,25)22-13-9-7-12(8-10-13)16(23)21-15-6-4-3-5-14(15)17(18,19)20;1-12(2)24(21,22)19-15-6-4-13(5-7-15)17(20)18-14-8-10-16(23-3)11-9-14;1-9(2)25(23,24)21-12-5-3-10(4-6-12)16(22)20-15-13(18)7-11(17)8-14(15)19;1-9(2)25(23,24)21-11-5-3-10(4-6-11)16(22)20-13-8-7-12(17)14(18)15(13)19;1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15;1-11(2)23(21,22)19-13-9-7-12(8-10-13)16(20)18-15-6-4-3-5-14(15)17/h11-12,15,18-21,26H,7-10,13-14H2,1-6H3,(H,25,28);7,9,11,14-18,21,26H,6,8,10,12-13H2,1-5H3,(H,25,28);10-11,14,16-19,26H,6-9,12-13H2,1-5H3,(H,25,28);10-12,15,17-20,25H,6-9,13-14H2,1-5H3,(H,24,27);9-11,14-18,25H,5-8,12-13H2,1-4H3,(H,24,27);7,10-11,14-17,19,25H,5-6,8-9,12-13H2,1-4H3,(H,24,27);9-12,15-18,20,24H,5-8,13-14H2,1-4H3,(H,23,26);7-12,14,22H,3-6H2,1-2H3,(H,21,23);3-6,11-13,22H,7-10H2,1-2H3,(H,21,23);8-13,15,19H,4-7H2,1-3H3,(H,18,20);7-10,12,21H,3-6H2,1-2H3,(H,20,22);7-11,21H,3-6H2,1-2H3,(H,20,22);3-5,10-12,14,19H,6-9H2,1-2H3,(H,18,20);3-6,11-13,19H,7-10H2,1-2H3,(H,18,20)/t18-,19+,20?,21?;15?,16-,17+,18?,21-;16-,17+,18?,19?;17-,18+,19?,20?;15-,16+,17?,18?;15-,16+,17?,19?;16-,17+,18?,20?;;;;;;;/m.1............/s1 |
| InChIKey | AXIUKHVCWWNRTE-DTGIQXNHSA-N |
| XLogP | 45.05 |
| TPSA | 1159.53 Ų |
| H-Bond Donors | 28 |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 79 |
| Heavy Atoms | 392 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5818.85 |
| LogP ≤ 5 | 45.05 |
| H-Bond Donors ≤ 5 | 28 |
| H-Bond Acceptors ≤ 10 | 58 |