C140H208F3N19O29S9 — CID 157215294
4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 157215294) has the molecular formula C140H208F3N19O29S9 and a molecular weight of 2966.90 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide.
| Compound Name | 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 157215294 |
| Molecular Formula | C140H208F3N19O29S9 |
| Molecular Weight | 2966.90 g/mol |
| Exact Mass | 2964.28 |
| IUPAC Name | 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(OCC3CC3)c2)CC1.CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)NS(=O)(=O)c1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1 |
| InChI | InChI=1S/C21H31N3O4S.C21H28N2O4S.C21H32N2O4S.2C20H33N3O5S2.C20H27N3O4S.C17H24F3N3O3S/c1-21(2,3)29(27,28)23-17-8-6-15(7-9-17)20(26)22-16-10-12-18(13-11-16)24-14-4-5-19(24)25;1-21(2,3)28(25,26)23-18-12-8-16(9-13-18)20(24)22-17-10-6-15(7-11-17)19-5-4-14-27-19;1-21(2,3)28(25,26)23-17-11-9-16(10-12-17)20(24)22-18-5-4-6-19(13-18)27-14-15-7-8-15;1-14(2)22-29(25,26)18-12-10-16(11-13-18)21-19(24)15-6-8-17(9-7-15)23-30(27,28)20(3,4)5;1-14(2)22-29(25,26)18-8-6-7-17(13-18)21-19(24)15-9-11-16(12-10-15)23-30(27,28)20(3,4)5;1-20(2,3)28(25,26)23-17-10-6-15(7-11-17)19(24)22-16-8-4-14(5-9-16)18-12-13-21-27-18;1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h10-13,15,17,23H,4-9,14H2,1-3H3,(H,22,26);4-7,10-11,14,16,18,23H,8-9,12-13H2,1-3H3,(H,22,24);4-6,13,15-17,23H,7-12,14H2,1-3H3,(H,22,24);10-15,17,22-23H,6-9H2,1-5H3,(H,21,24);6-8,13-16,22-23H,9-12H2,1-5H3,(H,21,24);4-5,8-9,12-13,15,17,23H,6-7,10-11H2,1-3H3,(H,22,24);6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24) |
| InChIKey | ASIPMAZCZLBERS-UHFFFAOYSA-N |
| XLogP | 22.93 |
| TPSA | 700.83 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2966.90 |
| LogP ≤ 5 | 22.93 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 31 |