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

C144H184F6N2O15S7 — CID 159884301

IUPAC1-(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
SMILESCC1CCC(Oc2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1C.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(-c2ncco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)c(C)c1.Cc1csc(-c2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)c(C)c2)c1
InChIInChI=1S/2C26H36O3S.C25H30O2S2.C24H29NO3S.C22H27F3O2S.C21H26F3NO2S/c1-19-6-17-25(20(19)2)29-24-15-13-22(14-16-24)8-7-21-9-11-23(12-10-21)18-30(27,28)26(3,4)5;1-5-23-18-21(16-17-25(23)29-24-8-6-7-9-24)13-10-20-11-14-22(15-12-20)19-30(27,28)26(2,3)4;1-18-14-24(28-16-18)23-13-12-22(19(2)15-23)11-10-20-6-8-21(9-7-20)17-29(26,27)25(3,4)5;1-17-14-19(7-9-22(17)16-29(26,27)24(3,4)5)6-8-20-10-11-21(15-18(20)2)23-25-12-13-28-23;1-5-19-14-17(12-13-20(19)22(23,24)25)9-6-16-7-10-18(11-8-16)15-28(26,27)21(2,3)4;1-14-15(2)19(25-12-18(14)21(22,23)24)11-10-16-6-8-17(9-7-16)13-28(26,27)20(3,4)5/h9-16,19-20,25H,6-8,17-18H2,1-5H3;11-12,14-18,24H,5-10,13,19H2,1-4H3;6-9,12-16H,10-11,17H2,1-5H3;7,9-15H,6,8,16H2,1-5H3;7-8,10-14H,5-6,9,15H2,1-4H3;6-9,12H,10-11,13H2,1-5H3
InChIKeyNTXVTWKHLIDQDU-UHFFFAOYSA-N
MW2521.51 g/mol
LogP35.04
Rot. Bonds38

About 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

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 (PubChem CID 159884301) has the molecular formula C144H184F6N2O15S7 and a molecular weight of 2521.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159884301
Molecular FormulaC144H184F6N2O15S7
Molecular Weight2521.51 g/mol
Exact Mass2519.16
IUPAC Name1-(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
SMILESCC1CCC(Oc2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1C.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(-c2ncco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)c(C)c1.Cc1csc(-c2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)c(C)c2)c1
InChIInChI=1S/2C26H36O3S.C25H30O2S2.C24H29NO3S.C22H27F3O2S.C21H26F3NO2S/c1-19-6-17-25(20(19)2)29-24-15-13-22(14-16-24)8-7-21-9-11-23(12-10-21)18-30(27,28)26(3,4)5;1-5-23-18-21(16-17-25(23)29-24-8-6-7-9-24)13-10-20-11-14-22(15-12-20)19-30(27,28)26(2,3)4;1-18-14-24(28-16-18)23-13-12-22(19(2)15-23)11-10-20-6-8-21(9-7-20)17-29(26,27)25(3,4)5;1-17-14-19(7-9-22(17)16-29(26,27)24(3,4)5)6-8-20-10-11-21(15-18(20)2)23-25-12-13-28-23;1-5-19-14-17(12-13-20(19)22(23,24)25)9-6-16-7-10-18(11-8-16)15-28(26,27)21(2,3)4;1-14-15(2)19(25-12-18(14)21(22,23)24)11-10-16-6-8-17(9-7-16)13-28(26,27)20(3,4)5/h9-16,19-20,25H,6-8,17-18H2,1-5H3;11-12,14-18,24H,5-10,13,19H2,1-4H3;6-9,12-16H,10-11,17H2,1-5H3;7,9-15H,6,8,16H2,1-5H3;7-8,10-14H,5-6,9,15H2,1-4H3;6-9,12H,10-11,13H2,1-5H3
InChIKeyNTXVTWKHLIDQDU-UHFFFAOYSA-N
XLogP35.04
TPSA262.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds38
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.51
LogP ≤ 535.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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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-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
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-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-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;pentakis(propane-2-sulfinate)
CID 160805218

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC(Oc2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1C.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(-c2ncco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)c(C)c1.Cc1csc(-c2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)c(C)c2)c1.
What is the InChIKey of 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?
The InChIKey is NTXVTWKHLIDQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H36O3S.C25H30O2S2.C24H29NO3S.C22H27F3O2S.C21H26F3NO2S/c1-19-6-17-25(20(19)2)29-24-15-13-22(14-16-24)8-7-21-9-11-23(12-10-21)18-30(27,28)26(3,4)5;1-5-23-18-21(16-17-25(23)29-24-8-6-7-9-24)13-10-20-11-14-22(15-12-20)19-30(27,28)26(2,3)4;1-18-14-24(28-16-18)23-13-12-22(19(2)15-23)11-10-20-6-8-21(9-7-20)17-29(26,27)25(3,4)5;1-17-14-19(7-9-22(17)16-29(26,27)24(3,4)5)6-8-20-10-11-21(15-18(20)2)23-25-12-13-28-23;1-5-19-14-17(12-13-20(19)22(23,24)25)9-6-16-7-10-18(11-8-16)15-28(26,27)21(2,3)4;1-14-15(2)19(25-12-18(14)21(22,23)24)11-10-16-6-8-17(9-7-16)13-28(26,27)20(3,4)5/h9-16,19-20,25H,6-8,17-18H2,1-5H3;11-12,14-18,24H,5-10,13,19H2,1-4H3;6-9,12-16H,10-11,17H2,1-5H3;7,9-15H,6,8,16H2,1-5H3;7-8,10-14H,5-6,9,15H2,1-4H3;6-9,12H,10-11,13H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 2521.51 g/mol, XLogP of 35.04, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159884301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).