C141H207BrN18O27S7 — CID 159508245
N-(3-acetamidophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-acetamidophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-bromophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2-oxochromen-7-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(4-piperidin-1-ylphenyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 159508245) has the molecular formula C141H207BrN18O27S7 and a molecular weight of 2890.68 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-acetamidophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-bromophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2-oxochromen-7-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(4-piperidin-1-ylphenyl)phenyl]cyclohexane-1-carboxamide.
| Compound Name | N-(3-acetamidophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-acetamidophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-bromophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2-oxochromen-7-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(4-piperidin-1-ylphenyl)phenyl]cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 159508245 |
| Molecular Formula | C141H207BrN18O27S7 |
| Molecular Weight | 2890.68 g/mol |
| Exact Mass | 2887.26 |
| IUPAC Name | N-(3-acetamidophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-acetamidophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-bromophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(dimethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2-oxochromen-7-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(4-piperidin-1-ylphenyl)phenyl]cyclohexane-1-carboxamide |
| SMILES | CC(=O)Nc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(=O)Nc1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ccc(N4CCCCC4)cc3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Br)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1.CN(C)c1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1.Cc1cc(=O)oc2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc12 |
| InChI | InChI=1S/C28H39N3O3S.C21H28N2O5S.2C19H29N3O4S.C19H31N3O3S.C18H26N2O5S.C17H25BrN2O3S/c1-28(2,3)35(33,34)30-25-15-9-23(10-16-25)27(32)29-24-13-7-21(8-14-24)22-11-17-26(18-12-22)31-19-5-4-6-20-31;1-13-11-19(24)28-18-12-16(9-10-17(13)18)22-20(25)14-5-7-15(8-6-14)23-29(26,27)21(2,3)4;1-13(23)20-15-9-11-16(12-10-15)21-18(24)14-5-7-17(8-6-14)22-27(25,26)19(2,3)4;1-13(23)20-16-6-5-7-17(12-16)21-18(24)14-8-10-15(11-9-14)22-27(25,26)19(2,3)4;1-19(2,3)26(24,25)21-15-11-9-14(10-12-15)18(23)20-16-7-6-8-17(13-16)22(4)5;1-18(2,3)26(22,23)20-13-6-4-12(5-7-13)17(21)19-14-8-9-15-16(10-14)25-11-24-15;1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14/h7-8,11-14,17-18,23,25,30H,4-6,9-10,15-16,19-20H2,1-3H3,(H,29,32);9-12,14-15,23H,5-8H2,1-4H3,(H,22,25);9-12,14,17,22H,5-8H2,1-4H3,(H,20,23)(H,21,24);5-7,12,14-15,22H,8-11H2,1-4H3,(H,20,23)(H,21,24);6-8,13-15,21H,9-12H2,1-5H3,(H,20,23);8-10,12-13,20H,4-7,11H2,1-3H3,(H,19,21);6-7,10-12,15,20H,4-5,8-9H2,1-3H3,(H,19,21) |
| InChIKey | MAGQJSQXGDEGHL-UHFFFAOYSA-N |
| XLogP | 23.86 |
| TPSA | 640.24 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2890.68 |
| LogP ≤ 5 | 23.86 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'cumarine', 'substructure': 'N/A'} |
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