C155H237F3N4O22S9 — CID 158246124
1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-(cyclopropylmethoxy)benzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(2-methylpropylsulfonyl)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-oxazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-2-one;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine (PubChem CID 158246124) has the molecular formula C155H237F3N4O22S9 and a molecular weight of 2854.20 g/mol. Its IUPAC name is 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-(cyclopropylmethoxy)benzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(2-methylpropylsulfonyl)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-oxazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-2-one;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine.
| Compound Name | 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-(cyclopropylmethoxy)benzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(2-methylpropylsulfonyl)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-oxazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-2-one;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 158246124 |
| Molecular Formula | C155H237F3N4O22S9 |
| Molecular Weight | 2854.20 g/mol |
| Exact Mass | 2851.50 |
| IUPAC Name | 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-(cyclopropylmethoxy)benzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(2-methylpropylsulfonyl)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-oxazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-2-one;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine |
| SMILES | CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCCC3=O)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(OCC3CC3)c2)CC1.CC(C)CS(=O)(=O)c1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)NS(=O)(=O)c1cccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1 |
| InChI | InChI=1S/C23H35NO3S.C23H38O4S2.C23H32O3S.C23H36O3S.C22H37NO4S2.C22H31NO3S.C19H28F3NO2S/c1-23(2,3)28(26,27)17-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)24-16-4-5-22(24)25;1-18(2)16-28(24,25)22-14-12-20(13-15-22)7-6-19-8-10-21(11-9-19)17-29(26,27)23(3,4)5;1-23(2,3)27(24,25)17-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)22-5-4-16-26-22;1-23(2,3)27(24,25)17-21-13-8-18(9-14-21)7-10-19-5-4-6-22(15-19)26-16-20-11-12-20;1-17(2)23-29(26,27)21-8-6-7-19(15-21)12-9-18-10-13-20(14-11-18)16-28(24,25)22(3,4)5;1-22(2,3)27(24,25)16-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-14-15-23-26-21;1-18(2,3)26(24,25)13-15-6-4-14(5-7-15)8-10-17-11-9-16(12-23-17)19(20,21)22/h12-15,18,20H,4-11,16-17H2,1-3H3;12-15,18-19,21H,6-11,16-17H2,1-5H3;4-5,12-16,18,20H,6-11,17H2,1-3H3;4-6,15,18,20-21H,7-14,16-17H2,1-3H3;6-8,15,17-18,20,23H,9-14,16H2,1-5H3;10-15,17,19H,4-9,16H2,1-3H3;9,11-12,14-15H,4-8,10,13H2,1-3H3 |
| InChIKey | GGDGHJQJCGXODT-UHFFFAOYSA-N |
| XLogP | 35.83 |
| TPSA | 400.89 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2854.20 |
| LogP ≤ 5 | 35.83 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 24 |