C132H190F3N3O25S8 — CID 162020670
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 162020670) has the molecular formula C132H190F3N3O25S8 and a molecular weight of 2532.50 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
| Compound Name | 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone |
|---|---|
| PubChem CID | 162020670 |
| Molecular Formula | C132H190F3N3O25S8 |
| Molecular Weight | 2532.50 g/mol |
| Exact Mass | 2530.14 |
| IUPAC Name | 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone |
| SMILES | CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(OCC3CC3)c2)CC1.CC(C)CS(=O)(=O)c1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)NS(=O)(=O)c1cccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1 |
| InChI | InChI=1S/C23H36O5S2.C23H30O4S.C23H34O4S.C22H35NO5S2.C22H29NO4S.C19H26F3NO3S/c1-17(2)15-29(25,26)21-12-8-18(9-13-21)14-22(24)20-10-6-19(7-11-20)16-30(27,28)23(3,4)5;1-23(2,3)28(25,26)16-18-8-10-19(11-9-18)21(24)15-17-6-12-20(13-7-17)22-5-4-14-27-22;1-23(2,3)28(25,26)16-18-9-11-20(12-10-18)22(24)14-19-5-4-6-21(13-19)27-15-17-7-8-17;1-16(2)23-30(27,28)20-8-6-7-18(13-20)14-21(24)19-11-9-17(10-12-19)15-29(25,26)22(3,4)5;1-22(2,3)28(25,26)15-17-6-8-18(9-7-17)20(24)14-16-4-10-19(11-5-16)21-12-13-23-27-21;1-18(2,3)27(25,26)12-13-4-6-14(7-5-13)17(24)10-16-9-8-15(11-23-16)19(20,21)22/h8-9,12-13,17,19-20H,6-7,10-11,14-16H2,1-5H3;4-7,12-14,18-19H,8-11,15-16H2,1-3H3;4-6,13,17-18,20H,7-12,14-16H2,1-3H3;6-8,13,16-17,19,23H,9-12,14-15H2,1-5H3;4-5,10-13,17-18H,6-9,14-15H2,1-3H3;8-9,11,13-14H,4-7,10,12H2,1-3H3 |
| InChIKey | YURZRHRELGDQHK-UHFFFAOYSA-N |
| XLogP | 26.14 |
| TPSA | 448.86 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2532.50 |
| LogP ≤ 5 | 26.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 27 |