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

C155H242F6N2O18S8 — CID 159843776

IUPAC4-(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
SMILESCC1CCC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCCCCCCS(=O)(=O)C(C)(C)C)c1C.Cc1cc(-c2ccco2)ccc1CCCCC(C)CCS(=O)(=O)C(C)(C)C.Cc1cc(-c2ncco2)ccc1CCCCC(C)CCS(=O)(=O)C(C)(C)C.Cc1csc(-c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2)c1
InChIInChI=1S/2C24H40O3S.C23H34O3S.C23H34O2S2.C22H33NO3S.C20H31F3O2S.C19H30F3NO2S/c1-19-12-17-23(20(19)2)27-22-15-13-21(14-16-22)11-9-7-6-8-10-18-28(25,26)24(3,4)5;1-5-21-19-20(16-17-23(21)27-22-14-10-11-15-22)13-9-7-6-8-12-18-28(25,26)24(2,3)4;1-18(14-16-27(24,25)23(3,4)5)9-6-7-10-20-12-13-21(17-19(20)2)22-11-8-15-26-22;1-18-15-22(26-17-18)21-13-12-20(19(2)16-21)11-9-7-6-8-10-14-27(24,25)23(3,4)5;1-17(12-15-27(24,25)22(3,4)5)8-6-7-9-19-10-11-20(16-18(19)2)21-23-13-14-26-21;1-5-17-15-16(12-13-18(17)20(21,22)23)11-9-7-6-8-10-14-26(24,25)19(2,3)4;1-14-15(2)17(23-13-16(14)19(20,21)22)11-9-7-6-8-10-12-26(24,25)18(3,4)5/h13-16,19-20,23H,6-12,17-18H2,1-5H3;16-17,19,22H,5-15,18H2,1-4H3;8,11-13,15,17-18H,6-7,9-10,14,16H2,1-5H3;12-13,15-17H,6-11,14H2,1-5H3;10-11,13-14,16-17H,6-9,12,15H2,1-5H3;12-13,15H,5-11,14H2,1-4H3;13H,6-12H2,1-5H3
InChIKeyNPAJTCLYFRFISG-UHFFFAOYSA-N
MW2792.16 g/mol
LogP42.43
Rot. Bonds65

About 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

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 (PubChem CID 159843776) has the molecular formula C155H242F6N2O18S8 and a molecular weight of 2792.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159843776
Molecular FormulaC155H242F6N2O18S8
Molecular Weight2792.16 g/mol
Exact Mass2789.58
IUPAC Name4-(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
SMILESCC1CCC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCCCCCCS(=O)(=O)C(C)(C)C)c1C.Cc1cc(-c2ccco2)ccc1CCCCC(C)CCS(=O)(=O)C(C)(C)C.Cc1cc(-c2ncco2)ccc1CCCCC(C)CCS(=O)(=O)C(C)(C)C.Cc1csc(-c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2)c1
InChIInChI=1S/2C24H40O3S.C23H34O3S.C23H34O2S2.C22H33NO3S.C20H31F3O2S.C19H30F3NO2S/c1-19-12-17-23(20(19)2)27-22-15-13-21(14-16-22)11-9-7-6-8-10-18-28(25,26)24(3,4)5;1-5-21-19-20(16-17-23(21)27-22-14-10-11-15-22)13-9-7-6-8-12-18-28(25,26)24(2,3)4;1-18(14-16-27(24,25)23(3,4)5)9-6-7-10-20-12-13-21(17-19(20)2)22-11-8-15-26-22;1-18-15-22(26-17-18)21-13-12-20(19(2)16-21)11-9-7-6-8-10-14-27(24,25)23(3,4)5;1-17(12-15-27(24,25)22(3,4)5)8-6-7-9-19-10-11-20(16-18(19)2)21-23-13-14-26-21;1-5-17-15-16(12-13-18(17)20(21,22)23)11-9-7-6-8-10-14-26(24,25)19(2,3)4;1-14-15(2)17(23-13-16(14)19(20,21)22)11-9-7-6-8-10-12-26(24,25)18(3,4)5/h13-16,19-20,23H,6-12,17-18H2,1-5H3;16-17,19,22H,5-15,18H2,1-4H3;8,11-13,15,17-18H,6-7,9-10,14,16H2,1-5H3;12-13,15-17H,6-11,14H2,1-5H3;10-11,13-14,16-17H,6-9,12,15H2,1-5H3;12-13,15H,5-11,14H2,1-4H3;13H,6-12H2,1-5H3
InChIKeyNPAJTCLYFRFISG-UHFFFAOYSA-N
XLogP42.43
TPSA309.50 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds65
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002792.16
LogP ≤ 542.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 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
4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]-3-methylbenzamide;4-(tert-butylsulfonylamino)-N-[3-(furan-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]benzamide
CID 159495387
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
2-Chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan
CID 159824088
4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]-3-methylbenzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]benzamide
CID 159835978
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCCCCCCS(=O)(=O)C(C)(C)C)c1C.Cc1cc(-c2ccco2)ccc1CCCCC(C)CCS(=O)(=O)C(C)(C)C.Cc1cc(-c2ncco2)ccc1CCCCC(C)CCS(=O)(=O)C(C)(C)C.Cc1csc(-c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2)c1.
What is the InChIKey of 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?
The InChIKey is NPAJTCLYFRFISG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H40O3S.C23H34O3S.C23H34O2S2.C22H33NO3S.C20H31F3O2S.C19H30F3NO2S/c1-19-12-17-23(20(19)2)27-22-15-13-21(14-16-22)11-9-7-6-8-10-18-28(25,26)24(3,4)5;1-5-21-19-20(16-17-23(21)27-22-14-10-11-15-22)13-9-7-6-8-12-18-28(25,26)24(2,3)4;1-18(14-16-27(24,25)23(3,4)5)9-6-7-10-20-12-13-21(17-19(20)2)22-11-8-15-26-22;1-18-15-22(26-17-18)21-13-12-20(19(2)16-21)11-9-7-6-8-10-14-27(24,25)23(3,4)5;1-17(12-15-27(24,25)22(3,4)5)8-6-7-9-19-10-11-20(16-18(19)2)21-23-13-14-26-21;1-5-17-15-16(12-13-18(17)20(21,22)23)11-9-7-6-8-10-14-26(24,25)19(2,3)4;1-14-15(2)17(23-13-16(14)19(20,21)22)11-9-7-6-8-10-12-26(24,25)18(3,4)5/h13-16,19-20,23H,6-12,17-18H2,1-5H3;16-17,19,22H,5-15,18H2,1-4H3;8,11-13,15,17-18H,6-7,9-10,14,16H2,1-5H3;12-13,15-17H,6-11,14H2,1-5H3;10-11,13-14,16-17H,6-9,12,15H2,1-5H3;12-13,15H,5-11,14H2,1-4H3;13H,6-12H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 2792.16 g/mol, XLogP of 42.43, 65 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159843776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).