C126H190F6N20O21S7 — CID 158377272
4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 158377272) has the molecular formula C126H190F6N20O21S7 and a molecular weight of 2659.48 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]piperidine-1-carboxamide.
| Compound Name | 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 158377272 |
| Molecular Formula | C126H190F6N20O21S7 |
| Molecular Weight | 2659.48 g/mol |
| Exact Mass | 2657.24 |
| IUPAC Name | 4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]piperidine-1-carboxamide |
| SMILES | CC1CCC(Oc2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C1C.CCc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F.CCc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1C.Cc1cc(-c2ncco2)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)(C)C)C(C)C1.Cc1csc(-c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(C)c2)c1 |
| InChI | InChI=1S/2C23H37N3O4S.C22H31N3O3S2.C21H30N4O4S.C19H28F3N3O3S.C18H27F3N4O3S/c1-16-6-11-21(17(16)2)30-20-9-7-18(8-10-20)24-22(27)26-14-12-19(13-15-26)25-31(28,29)23(3,4)5;1-5-17-16-19(10-11-21(17)30-20-8-6-7-9-20)24-22(27)26-14-12-18(13-15-26)25-31(28,29)23(2,3)4;1-15-12-20(29-14-15)17-6-7-19(16(2)13-17)23-21(26)25-10-8-18(9-11-25)24-30(27,28)22(3,4)5;1-14-12-16(19-22-9-11-29-19)6-7-17(14)23-20(26)25-10-8-18(15(2)13-25)24-30(27,28)21(3,4)5;1-5-13-12-15(6-7-16(13)19(20,21)22)23-17(26)25-10-8-14(9-11-25)24-29(27,28)18(2,3)4;1-11-12(2)15(22-10-14(11)18(19,20)21)23-16(26)25-8-6-13(7-9-25)24-29(27,28)17(3,4)5/h7-10,16-17,19,21,25H,6,11-15H2,1-5H3,(H,24,27);10-11,16,18,20,25H,5-9,12-15H2,1-4H3,(H,24,27);6-7,12-14,18,24H,8-11H2,1-5H3,(H,23,26);6-7,9,11-12,15,18,24H,8,10,13H2,1-5H3,(H,23,26);6-7,12,14,24H,5,8-11H2,1-4H3,(H,23,26);10,13,24H,6-9H2,1-5H3,(H,22,23,26) |
| InChIKey | GVIWSMGAFPNARV-UHFFFAOYSA-N |
| XLogP | 24.27 |
| TPSA | 528.44 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2659.48 |
| LogP ≤ 5 | 24.27 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |