C213H250F10N22O35S11 — CID 159495387
4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]-3-methylbenzamide;4-(tert-butylsulfonylamino)-N-[3-(furan-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]benzamide (PubChem CID 159495387) has the molecular formula C213H250F10N22O35S11 and a molecular weight of 4221.18 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]-3-methylbenzamide;4-(tert-butylsulfonylamino)-N-[3-(furan-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]benzamide.
| Compound Name | 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]-3-methylbenzamide;4-(tert-butylsulfonylamino)-N-[3-(furan-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]benzamide |
|---|---|
| PubChem CID | 159495387 |
| Molecular Formula | C213H250F10N22O35S11 |
| Molecular Weight | 4221.18 g/mol |
| Exact Mass | 4217.52 |
| IUPAC Name | 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]-3-methylbenzamide;4-(tert-butylsulfonylamino)-N-[3-(furan-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]benzamide |
| SMILES | CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccco3)c2)cc1.CC1CCC(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)C1C.CCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.CCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(-c2ccco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)c(C)c1.Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)c(C)c1.Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)cc1NS(=O)(=O)C(C)(C)C.Cc1csc(-c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)c(C)c2)c1 |
| InChI | InChI=1S/2C24H32N2O4S.C23H26N2O4S.C23H26N2O3S2.C22H25N3O4S.C21H22N2O4S.2C20H23F3N2O3S.C19H22F3N3O3S.C17H19FN2O3S/c1-16-6-15-22(17(16)2)30-21-13-11-19(12-14-21)25-23(27)18-7-9-20(10-8-18)26-31(28,29)24(3,4)5;1-5-17-16-20(14-15-22(17)30-21-8-6-7-9-21)25-23(27)18-10-12-19(13-11-18)26-31(28,29)24(2,3)4;1-15-13-17(21-7-6-12-29-21)8-10-19(15)24-22(26)18-9-11-20(16(2)14-18)25-30(27,28)23(3,4)5;1-15-12-21(29-14-15)18-8-11-20(16(2)13-18)24-22(26)17-6-9-19(10-7-17)25-30(27,28)23(3,4)5;1-14-13-17(21-23-10-11-29-21)7-8-18(14)24-20(26)16-6-9-19(15(2)12-16)25-30(27,28)22(3,4)5;1-21(2,3)28(25,26)23-17-11-9-15(10-12-17)20(24)22-18-7-4-6-16(14-18)19-8-5-13-27-19;1-12-11-17(25-29(27,28)19(3,4)5)13(2)10-16(12)18(26)24-15-8-6-14(7-9-15)20(21,22)23;1-5-13-12-16(10-11-17(13)20(21,22)23)24-18(26)14-6-8-15(9-7-14)25-29(27,28)19(2,3)4;1-11-12(2)16(23-10-15(11)19(20,21)22)24-17(26)13-6-8-14(9-7-13)25-29(27,28)18(3,4)5;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/h7-14,16-17,22,26H,6,15H2,1-5H3,(H,25,27);10-16,21,26H,5-9H2,1-4H3,(H,25,27);2*6-14,25H,1-5H3,(H,24,26);6-13,25H,1-5H3,(H,24,26);4-14,23H,1-3H3,(H,22,24);6-11,25H,1-5H3,(H,24,26);6-12,25H,5H2,1-4H3,(H,24,26);6-10,25H,1-5H3,(H,23,24,26);4-11,20H,1-3H3,(H,19,21) |
| InChIKey | LYSGZMONBUIKFU-UHFFFAOYSA-N |
| XLogP | 49.63 |
| TPSA | 836.36 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 291 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4221.18 |
| LogP ≤ 5 | 49.63 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 38 |