1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole

C140H172F3NO16S7 — CID 159096426

IUPAC1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole
SMILESCC1CCC(Oc2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2)C1C.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1CCc1ccc(CS(=O)(=O)C(C)C)cc1.Cc1cc(-c2ncco2)ccc1CCc1ccc(CS(=O)(=O)C(C)C)cc1.Cc1csc(-c2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)c(C)c2)c1
InChIInChI=1S/2C25H34O3S.C24H28O2S2.C23H26O3S.C22H25NO3S.C21H25F3O2S/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;1-17(2)27(24,25)16-20-8-6-19(7-9-20)10-11-21-12-13-22(15-18(21)3)23-5-4-14-26-23;1-16(2)27(24,25)15-19-6-4-18(5-7-19)8-9-20-10-11-21(14-17(20)3)22-23-12-13-26-22;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/h8-15,18-20,25H,5-7,16-17H2,1-4H3;10-11,13-17,19,24H,4-9,12,18H2,1-3H3;5-8,11-15,17H,9-10,16H2,1-4H3;4-9,12-15,17H,10-11,16H2,1-3H3;4-7,10-14,16H,8-9,15H2,1-3H3;6-7,9-13,15H,4-5,8,14H2,1-3H3
InChIKeyKCSOLSVGEMRLCW-UHFFFAOYSA-N
MW2406.37 g/mol
LogP32.93
Rot. Bonds45

About 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole

1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole (PubChem CID 159096426) has the molecular formula C140H172F3NO16S7 and a molecular weight of 2406.37 g/mol. Its IUPAC name is 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole
PubChem CID159096426
Molecular FormulaC140H172F3NO16S7
Molecular Weight2406.37 g/mol
Exact Mass2404.07
IUPAC Name1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole
SMILESCC1CCC(Oc2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2)C1C.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1CCc1ccc(CS(=O)(=O)C(C)C)cc1.Cc1cc(-c2ncco2)ccc1CCc1ccc(CS(=O)(=O)C(C)C)cc1.Cc1csc(-c2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)c(C)c2)c1
InChIInChI=1S/2C25H34O3S.C24H28O2S2.C23H26O3S.C22H25NO3S.C21H25F3O2S/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;1-17(2)27(24,25)16-20-8-6-19(7-9-20)10-11-21-12-13-22(15-18(21)3)23-5-4-14-26-23;1-16(2)27(24,25)15-19-6-4-18(5-7-19)8-9-20-10-11-21(14-17(20)3)22-23-12-13-26-22;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/h8-15,18-20,25H,5-7,16-17H2,1-4H3;10-11,13-17,19,24H,4-9,12,18H2,1-3H3;5-8,11-15,17H,9-10,16H2,1-4H3;4-9,12-15,17H,10-11,16H2,1-3H3;4-7,10-14,16H,8-9,15H2,1-3H3;6-7,9-13,15H,4-5,8,14H2,1-3H3
InChIKeyKCSOLSVGEMRLCW-UHFFFAOYSA-N
XLogP32.93
TPSA262.47 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds45
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002406.37
LogP ≤ 532.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[4-(Tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)
CID 157491444
1-(4-Cyclopentyloxy-3-ethylphenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-ethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(furan-2-yl)-2-methylphenyl]-5-methyl-7-propan-2-ylsulfonylheptan-2-one;5-methyl-1-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-7-propan-2-ylsulfonylheptan-2-one
CID 158360047
2-[4-[2-[4-(Tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)
CID 158827704
1-(Tert-butylsulfonylmethyl)-4-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-cyclopentyloxy-2-ethylbenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]-4-methylthiophene
CID 158907340
1-(Tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide
CID 159251088
1-Cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)
CID 159765514
N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)
CID 159792631
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;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;2-[4-(7-tert-butylsulfonyl-5-methylheptyl)-3-methylphenyl]furan;2-[4-(7-tert-butylsulfonyl-5-methylheptyl)-3-methylphenyl]-1,3-oxazole
CID 159843776
1-(Tert-butylsulfonylmethyl)-4-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-cyclopentyloxy-2-ethylbenzene;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]-4-methylthiophene
CID 159884301
1-Cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-heptyl-3,4-dimethyl-5-(trifluoromethyl)pyridine;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-(3-heptylphenyl)furan;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;octakis(propane-2-sulfinate)
CID 159955330
1-Cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-(3-heptylphenyl)furan;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;heptakis(propane-2-sulfinate)
CID 160453183
N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(furan-2-yl)-2-methylphenyl]-4-methyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 160959805

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole?
The IUPAC name of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole (CID 159096426) is 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole?
The canonical SMILES for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole is CC1CCC(Oc2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2)C1C.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1CCc1ccc(CS(=O)(=O)C(C)C)cc1.Cc1cc(-c2ncco2)ccc1CCc1ccc(CS(=O)(=O)C(C)C)cc1.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)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole?
The InChIKey is KCSOLSVGEMRLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H34O3S.C24H28O2S2.C23H26O3S.C22H25NO3S.C21H25F3O2S/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;1-17(2)27(24,25)16-20-8-6-19(7-9-20)10-11-21-12-13-22(15-18(21)3)23-5-4-14-26-23;1-16(2)27(24,25)15-19-6-4-18(5-7-19)8-9-20-10-11-21(14-17(20)3)22-23-12-13-26-22;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/h8-15,18-20,25H,5-7,16-17H2,1-4H3;10-11,13-17,19,24H,4-9,12,18H2,1-3H3;5-8,11-15,17H,9-10,16H2,1-4H3;4-9,12-15,17H,10-11,16H2,1-3H3;4-7,10-14,16H,8-9,15H2,1-3H3;6-7,9-13,15H,4-5,8,14H2,1-3H3.
What are the key properties of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole?
1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole has a molecular weight of 2406.37 g/mol, XLogP of 32.93, 45 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 159096426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).