1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene

C136H206F9NO14S7 — CID 159200451

IUPAC1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene
SMILESCC1CCC(Oc2ccc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1C.CC1C[C@@H](CS(=O)(=O)C(C)C)C(C)C[C@@H]1CCc1ccc(C(F)(F)F)cc1.CCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.CCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)c1C.Cc1csc(-c2ccc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)c(C)c2)c1
InChIInChI=1S/2C25H40O3S.C24H34O2S2.2C21H31F3O2S.C20H30F3NO2S/c1-18(2)29(26,27)17-23-10-8-21(9-11-23)6-7-22-12-14-24(15-13-22)28-25-16-5-19(3)20(25)4;1-4-23-17-21(15-16-25(23)28-24-7-5-6-8-24)12-9-20-10-13-22(14-11-20)18-29(26,27)19(2)3;1-17(2)28(25,26)16-21-7-5-20(6-8-21)9-10-22-11-12-23(14-19(22)4)24-13-18(3)15-27-24;1-14(2)27(25,26)13-19-12-15(3)18(11-16(19)4)8-5-17-6-9-20(10-7-17)21(22,23)24;1-4-19-13-17(11-12-20(19)21(22,23)24)8-5-16-6-9-18(10-7-16)14-27(25,26)15(2)3;1-13(2)27(25,26)12-17-7-5-16(6-8-17)9-10-19-15(4)14(3)18(11-24-19)20(21,22)23/h12-15,18-21,23,25H,5-11,16-17H2,1-4H3;15-17,19-20,22,24H,4-14,18H2,1-3H3;11-15,17,20-21H,5-10,16H2,1-4H3;6-7,9-10,14-16,18-19H,5,8,11-13H2,1-4H3;11-13,15-16,18H,4-10,14H2,1-3H3;11,13,16-17H,5-10,12H2,1-4H3/t;;;15?,16?,18-,19-;;/m...0../s1
InChIKeyKPFFXYOJKQCARH-IEPWHPQJSA-N
MW2474.59 g/mol
LogP35.66
Rot. Bonds43

About 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene

1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene (PubChem CID 159200451) has the molecular formula C136H206F9NO14S7 and a molecular weight of 2474.59 g/mol. Its IUPAC name is 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene.

Molecular Properties

Compound Name1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene
PubChem CID159200451
Molecular FormulaC136H206F9NO14S7
Molecular Weight2474.59 g/mol
Exact Mass2472.33
IUPAC Name1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene
SMILESCC1CCC(Oc2ccc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1C.CC1C[C@@H](CS(=O)(=O)C(C)C)C(C)C[C@@H]1CCc1ccc(C(F)(F)F)cc1.CCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.CCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)c1C.Cc1csc(-c2ccc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)c(C)c2)c1
InChIInChI=1S/2C25H40O3S.C24H34O2S2.2C21H31F3O2S.C20H30F3NO2S/c1-18(2)29(26,27)17-23-10-8-21(9-11-23)6-7-22-12-14-24(15-13-22)28-25-16-5-19(3)20(25)4;1-4-23-17-21(15-16-25(23)28-24-7-5-6-8-24)12-9-20-10-13-22(14-11-20)18-29(26,27)19(2)3;1-17(2)28(25,26)16-21-7-5-20(6-8-21)9-10-22-11-12-23(14-19(22)4)24-13-18(3)15-27-24;1-14(2)27(25,26)13-19-12-15(3)18(11-16(19)4)8-5-17-6-9-20(10-7-17)21(22,23)24;1-4-19-13-17(11-12-20(19)21(22,23)24)8-5-16-6-9-18(10-7-16)14-27(25,26)15(2)3;1-13(2)27(25,26)12-17-7-5-16(6-8-17)9-10-19-15(4)14(3)18(11-24-19)20(21,22)23/h12-15,18-21,23,25H,5-11,16-17H2,1-4H3;15-17,19-20,22,24H,4-14,18H2,1-3H3;11-15,17,20-21H,5-10,16H2,1-4H3;6-7,9-10,14-16,18-19H,5,8,11-13H2,1-4H3;11-13,15-16,18H,4-10,14H2,1-3H3;11,13,16-17H,5-10,12H2,1-4H3/t;;;15?,16?,18-,19-;;/m...0../s1
InChIKeyKPFFXYOJKQCARH-IEPWHPQJSA-N
XLogP35.66
TPSA236.19 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002474.59
LogP ≤ 535.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene with MolForge

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Related Compounds

1-(Tert-butylsulfonylmethyl)-2,5-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-fluoro-2-(trifluoromethoxy)benzene;1-(2,3-dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;1-(3,5-dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;2-ethoxy-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;tetrakis(2-methylpropane-2-sulfinate)
CID 157259791
1-Cyclopentyloxy-2-ethyl-4-(7-propan-2-ylsulfonylheptyl)benzene;1-(3,5-dimethylcyclohexyl)-4-(7-propan-2-ylsulfonylheptyl)benzene;3,4-dimethyl-2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine;2-ethyl-4-(7-propan-2-ylsulfonylheptyl)-1-(trifluoromethyl)benzene;1-fluoro-4-(7-propan-2-ylsulfonylheptyl)benzene;4-methyl-2-[3-methyl-4-(7-propan-2-ylsulfonylheptyl)phenyl]thiophene;1-(trifluoromethyl)-4-(3,4,5-trimethyl-7-propan-2-ylsulfonylheptyl)benzene
CID 157516303
1-(2,3-Dimethylcyclohexyl)-4-heptylbenzene;1-(3,5-dimethylcyclohexyl)-4-heptylbenzene;2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenoxy]oxane;1-fluoro-4-heptylbenzene;1-fluoro-4-(7-propan-2-ylsulfonylheptyl)-2-(trifluoromethoxy)benzene;2-heptyl-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-heptyl-2-methoxy-1-(trifluoromethyl)benzene;hexakis(propane-2-sulfinate);1-(trifluoromethyl)-4-(3,4,5-trimethylheptyl)benzene
CID 159230243
1-[2-[4-(3,5-Dimethylcyclohexyl)phenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;1,4-dimethyl-2-(propan-2-ylsulfonylmethyl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-[2-(4-fluorophenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 159752888
4-(7-Tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
CID 159758710
1-cyclopentyloxy-2,4-diethylbenzene;2,4-diethyl-1-(trifluoromethyl)benzene;1-(2,3-dimethylcyclopentyl)oxy-4-ethylbenzene;2-ethyl-3,4-dimethyl-5-(trifluoromethyl)pyridine;2-(4-ethyl-3-methylphenyl)-4-methylthiophene;1-ethyl-4-(trifluoromethyl)benzene;pentakis(methylcyclohexane);hexakis(propane-2-sulfinate);(2R)-1,2,4-trimethylcyclohexane
CID 160938413
1-(3,5-Dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethoxy)benzene;tetrakis(propane-2-sulfinate);1,2,4-trimethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 161537397
1-(3,5-dimethylcyclohexyl)-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-(trifluoromethoxy)benzene;2-methoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene
CID 161823167
1-(Tert-butylsulfonylmethyl)-4-[2-[4-(2,3-dimethylcyclohexyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-4-[2-[4-(3,5-dimethylcyclohexyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-2,5-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-4-[2-(4-fluorophenyl)ethyl]benzene;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethoxy-1-(trifluoromethyl)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-fluoro-2-(trifluoromethoxy)benzene
CID 162214713
4-[(Z)-2-[4-[7-[5-(4-dec-9-enoxyphenyl)thiophen-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1-isocyanoethenyl]-2-(2,3-difluorophenyl)pyridine
CID 153309694
1,3-Bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene
CID 158729742

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene?
The IUPAC name of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene (CID 159200451) is 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene.
What is the SMILES notation for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene?
The canonical SMILES for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene is CC1CCC(Oc2ccc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1C.CC1C[C@@H](CS(=O)(=O)C(C)C)C(C)C[C@@H]1CCc1ccc(C(F)(F)F)cc1.CCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.CCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)c1C.Cc1csc(-c2ccc(CCC3CCC(CS(=O)(=O)C(C)C)CC3)c(C)c2)c1.
What is the InChIKey of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene?
The InChIKey is KPFFXYOJKQCARH-IEPWHPQJSA-N. The full InChI is InChI=1S/2C25H40O3S.C24H34O2S2.2C21H31F3O2S.C20H30F3NO2S/c1-18(2)29(26,27)17-23-10-8-21(9-11-23)6-7-22-12-14-24(15-13-22)28-25-16-5-19(3)20(25)4;1-4-23-17-21(15-16-25(23)28-24-7-5-6-8-24)12-9-20-10-13-22(14-11-20)18-29(26,27)19(2)3;1-17(2)28(25,26)16-21-7-5-20(6-8-21)9-10-22-11-12-23(14-19(22)4)24-13-18(3)15-27-24;1-14(2)27(25,26)13-19-12-15(3)18(11-16(19)4)8-5-17-6-9-20(10-7-17)21(22,23)24;1-4-19-13-17(11-12-20(19)21(22,23)24)8-5-16-6-9-18(10-7-16)14-27(25,26)15(2)3;1-13(2)27(25,26)12-17-7-5-16(6-8-17)9-10-19-15(4)14(3)18(11-24-19)20(21,22)23/h12-15,18-21,23,25H,5-11,16-17H2,1-4H3;15-17,19-20,22,24H,4-14,18H2,1-3H3;11-15,17,20-21H,5-10,16H2,1-4H3;6-7,9-10,14-16,18-19H,5,8,11-13H2,1-4H3;11-13,15-16,18H,4-10,14H2,1-3H3;11,13,16-17H,5-10,12H2,1-4H3/t;;;15?,16?,18-,19-;;/m...0../s1.
What are the key properties of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene?
1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene has a molecular weight of 2474.59 g/mol, XLogP of 35.66, 43 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene is sourced from PubChem (CID 159200451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).