C150H197F2N21O28S10 — CID 159644586
N-acridin-9-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-quinolin-6-ylcyclohexane-1-carboxamide;dimethyl 4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]thiophene-2,3-dicarboxylate (PubChem CID 159644586) has the molecular formula C150H197F2N21O28S10 and a molecular weight of 3101.01 g/mol. Its IUPAC name is N-acridin-9-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-quinolin-6-ylcyclohexane-1-carboxamide;dimethyl 4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]thiophene-2,3-dicarboxylate.
| Compound Name | N-acridin-9-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-quinolin-6-ylcyclohexane-1-carboxamide;dimethyl 4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]thiophene-2,3-dicarboxylate |
|---|---|
| PubChem CID | 159644586 |
| Molecular Formula | C150H197F2N21O28S10 |
| Molecular Weight | 3101.01 g/mol |
| Exact Mass | 3098.18 |
| IUPAC Name | N-acridin-9-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-quinolin-6-ylcyclohexane-1-carboxamide;dimethyl 4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]thiophene-2,3-dicarboxylate |
| SMILES | CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2c3ccccc3nc3ccccc23)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cc(-c3ccco3)[nH]n2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ncccc3c2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccnc2Oc2ccc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)CC1.COC(=O)c1scc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1C(=O)OC.COc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c(Sc2ccccc2)n1 |
| InChI | InChI=1S/C24H29N3O3S2.C24H29N3O3S.C23H31N3O4S2.C22H27F2N3O4S.C20H27N3O3S.C19H28N2O7S2.C18H26N4O4S/c1-24(2,3)32(29,30)27-18-13-11-17(12-14-18)22(28)26-23-25-21(15-31-23)20-10-6-8-16-7-4-5-9-19(16)20;1-24(2,3)31(29,30)27-17-14-12-16(13-15-17)23(28)26-22-18-8-4-6-10-20(18)25-21-11-7-5-9-19(21)22;1-23(2,3)32(28,29)26-17-12-10-16(11-13-17)21(27)24-19-14-15-20(30-4)25-22(19)31-18-8-6-5-7-9-18;1-22(2,3)32(29,30)27-16-9-6-14(7-10-16)20(28)26-18-5-4-12-25-21(18)31-19-11-8-15(23)13-17(19)24;1-20(2,3)27(25,26)23-16-8-6-14(7-9-16)19(24)22-17-10-11-18-15(13-17)5-4-12-21-18;1-19(2,3)30(25,26)21-12-8-6-11(7-9-12)16(22)20-13-10-29-15(18(24)28-5)14(13)17(23)27-4;1-18(2,3)27(24,25)22-13-8-6-12(7-9-13)17(23)19-16-11-14(20-21-16)15-5-4-10-26-15/h4-10,15,17-18,27H,11-14H2,1-3H3,(H,25,26,28);4-11,16-17,27H,12-15H2,1-3H3,(H,25,26,28);5-9,14-17,26H,10-13H2,1-4H3,(H,24,27);4-5,8,11-14,16,27H,6-7,9-10H2,1-3H3,(H,26,28);4-5,10-14,16,23H,6-9H2,1-3H3,(H,22,24);10-12,21H,6-9H2,1-5H3,(H,20,22);4-5,10-13,22H,6-9H2,1-3H3,(H2,19,20,21,23) |
| InChIKey | MQUHLTFLBRPTCX-UHFFFAOYSA-N |
| XLogP | 27.48 |
| TPSA | 704.22 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3101.01 |
| LogP ≤ 5 | 27.48 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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