C133H187Cl2F4N19O25S10 — CID 162128430
N-(1-benzothiophen-5-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 162128430) has the molecular formula C133H187Cl2F4N19O25S10 and a molecular weight of 2919.63 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide.
| Compound Name | N-(1-benzothiophen-5-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 162128430 |
| Molecular Formula | C133H187Cl2F4N19O25S10 |
| Molecular Weight | 2919.63 g/mol |
| Exact Mass | 2916.05 |
| IUPAC Name | N-(1-benzothiophen-5-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-butylphenyl)-5-(2-chloropropan-2-ylsulfinylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-chloro-2-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3sccc3c2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1.CCCCc1ccc(NC(=O)c2ccc(Cl)nc2NS(=O)(=O)C(C)C)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)Cl)cn2)cc1.COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC |
| InChI | InChI=1S/C20H32N2O6S.C19H24ClN3O3S.C19H24ClN3O2S.C19H25FN4O3S2.C19H31N3O5S2.C19H26N2O3S2.C18H25F3N2O3S/c1-20(2,3)29(24,25)22-14-9-7-13(8-10-14)19(23)21-15-11-16(26-4)18(28-6)17(12-15)27-5;1-4-5-6-14-7-9-15(10-8-14)21-19(24)16-11-12-17(20)22-18(16)23-27(25,26)13(2)3;1-4-5-6-14-7-9-15(10-8-14)22-18(24)17-12-11-16(13-21-17)23-26(25)19(2,3)20;1-19(2,3)29(26,27)24-15-10-6-12(7-11-15)16(25)21-18-23-22-17(28-18)13-4-8-14(20)9-5-13;1-19(2,3)29(26,27)22-16-8-6-15(7-9-16)18(23)21-13-12-14-4-10-17(11-5-14)28(20,24)25;1-19(2,3)26(23,24)21-15-6-4-13(5-7-15)18(22)20-16-8-9-17-14(12-16)10-11-25-17;1-17(2,3)27(25,26)23-15-8-4-12(5-9-15)16(24)22-14-10-6-13(7-11-14)18(19,20)21/h11-14,22H,7-10H2,1-6H3,(H,21,23);7-13H,4-6H2,1-3H3,(H,21,24)(H,22,23);7-13,23H,4-6H2,1-3H3,(H,22,24);4-5,8-9,12,15,24H,6-7,10-11H2,1-3H3,(H,21,23,25);4-5,10-11,15-16,22H,6-9,12-13H2,1-3H3,(H,21,23)(H2,20,24,25);8-13,15,21H,4-7H2,1-3H3,(H,20,22);6-7,10-12,15,23H,4-5,8-9H2,1-3H3,(H,22,24) |
| InChIKey | ZIISCCFUQPBRBR-UHFFFAOYSA-N |
| XLogP | 25.00 |
| TPSA | 649.23 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2919.63 |
| LogP ≤ 5 | 25.00 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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