C117H144F6N14O21S7 — CID 158832899
4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-thiophen-2-ylphenyl)benzamide;N-(4-cyclopentyloxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 158832899) has the molecular formula C117H144F6N14O21S7 and a molecular weight of 2420.97 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-thiophen-2-ylphenyl)benzamide;N-(4-cyclopentyloxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide.
| Compound Name | 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-thiophen-2-ylphenyl)benzamide;N-(4-cyclopentyloxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 158832899 |
| Molecular Formula | C117H144F6N14O21S7 |
| Molecular Weight | 2420.97 g/mol |
| Exact Mass | 2418.86 |
| IUPAC Name | 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-thiophen-2-ylphenyl)benzamide;N-(4-cyclopentyloxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3cccs3)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)C1CCC(N2CCCS2(=O)=O)CC1.O=C(Nc1ccc(OC2CCCC2)cc1)C1CCC(N2CCCS2(=O)=O)CC1 |
| InChI | InChI=1S/C22H28N2O4S.C21H30N2O4S.C21H22N2O3S2.C20H21N3O4S.C17H21F3N2O3S.C16H22F3N3O3S/c1-22(2,3)29(26,27)24-18-10-8-16(9-11-18)21(25)23-17-12-14-20(15-13-17)28-19-6-4-5-7-19;24-21(16-6-10-18(11-7-16)23-14-3-15-28(23,25)26)22-17-8-12-20(13-9-17)27-19-4-1-2-5-19;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;1-20(2,3)28(25,26)23-17-10-4-14(5-11-17)18(24)22-16-8-6-15(7-9-16)19-21-12-13-27-19;18-17(19,20)13-4-6-14(7-5-13)21-16(23)12-2-8-15(9-3-12)22-10-1-11-26(22,24)25;1-10(2)26(24,25)22-13-6-3-11(4-7-13)15(23)21-14-8-5-12(9-20-14)16(17,18)19/h8-15,19,24H,4-7H2,1-3H3,(H,23,25);8-9,12-13,16,18-19H,1-7,10-11,14-15H2,(H,22,24);4-14,23H,1-3H3,(H,22,24);4-13,23H,1-3H3,(H,22,24);4-7,12,15H,1-3,8-11H2,(H,21,23);5,8-11,13,22H,3-4,6-7H2,1-2H3,(H,20,21,23) |
| InChIKey | IXGQLUUXMRBYKS-UHFFFAOYSA-N |
| XLogP | 23.85 |
| TPSA | 491.42 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2420.97 |
| LogP ≤ 5 | 23.85 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 24 |