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

C148H214F6N2O25S8 — CID 158360047

IUPAC1-(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
SMILESCC1CCC(Oc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1C.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CC(=O)CCCCCS(=O)(=O)C(C)C)c1C.Cc1cc(-c2ccco2)ccc1CC(=O)CCC(C)CCS(=O)(=O)C(C)C.Cc1cc(-c2ncco2)ccc1CC(=O)CCC(C)CCS(=O)(=O)C(C)C.Cc1csc(-c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)c(C)c2)c1
InChIInChI=1S/2C23H36O4S.C22H30O4S.C22H30O3S2.C21H29NO4S.C19H27F3O3S.C18H26F3NO3S/c1-17(2)28(25,26)15-7-5-6-8-21(24)16-20-10-12-22(13-11-20)27-23-14-9-18(3)19(23)4;1-4-20-16-19(13-14-23(20)27-22-11-7-8-12-22)17-21(24)10-6-5-9-15-28(25,26)18(2)3;1-16(2)27(24,25)13-11-17(3)7-10-21(23)15-19-8-9-20(14-18(19)4)22-6-5-12-26-22;1-16(2)27(24,25)11-7-5-6-8-21(23)14-19-9-10-20(13-18(19)4)22-12-17(3)15-26-22;1-15(2)27(24,25)12-9-16(3)5-8-20(23)14-18-6-7-19(13-17(18)4)21-22-10-11-26-21;1-4-16-12-15(9-10-18(16)19(20,21)22)13-17(23)8-6-5-7-11-26(24,25)14(2)3;1-12(2)26(24,25)9-7-5-6-8-15(23)10-17-14(4)13(3)16(11-22-17)18(19,20)21/h10-13,17-19,23H,5-9,14-16H2,1-4H3;13-14,16,18,22H,4-12,15,17H2,1-3H3;5-6,8-9,12,14,16-17H,7,10-11,13,15H2,1-4H3;9-10,12-13,15-16H,5-8,11,14H2,1-4H3;6-7,10-11,13,15-16H,5,8-9,12,14H2,1-4H3;9-10,12,14H,4-8,11,13H2,1-3H3;11-12H,5-10H2,1-4H3
InChIKeyGTIYGYHKXVGHFQ-UHFFFAOYSA-N
MW2791.85 g/mol
LogP33.95
Rot. Bonds72

About 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

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 (PubChem CID 158360047) has the molecular formula C148H214F6N2O25S8 and a molecular weight of 2791.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158360047
Molecular FormulaC148H214F6N2O25S8
Molecular Weight2791.85 g/mol
Exact Mass2789.32
IUPAC Name1-(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
SMILESCC1CCC(Oc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1C.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CC(=O)CCCCCS(=O)(=O)C(C)C)c1C.Cc1cc(-c2ccco2)ccc1CC(=O)CCC(C)CCS(=O)(=O)C(C)C.Cc1cc(-c2ncco2)ccc1CC(=O)CCC(C)CCS(=O)(=O)C(C)C.Cc1csc(-c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)c(C)c2)c1
InChIInChI=1S/2C23H36O4S.C22H30O4S.C22H30O3S2.C21H29NO4S.C19H27F3O3S.C18H26F3NO3S/c1-17(2)28(25,26)15-7-5-6-8-21(24)16-20-10-12-22(13-11-20)27-23-14-9-18(3)19(23)4;1-4-20-16-19(13-14-23(20)27-22-11-7-8-12-22)17-21(24)10-6-5-9-15-28(25,26)18(2)3;1-16(2)27(24,25)13-11-17(3)7-10-21(23)15-19-8-9-20(14-18(19)4)22-6-5-12-26-22;1-16(2)27(24,25)11-7-5-6-8-21(23)14-19-9-10-20(13-18(19)4)22-12-17(3)15-26-22;1-15(2)27(24,25)12-9-16(3)5-8-20(23)14-18-6-7-19(13-17(18)4)21-22-10-11-26-21;1-4-16-12-15(9-10-18(16)19(20,21)22)13-17(23)8-6-5-7-11-26(24,25)14(2)3;1-12(2)26(24,25)9-7-5-6-8-15(23)10-17-14(4)13(3)16(11-22-17)18(19,20)21/h10-13,17-19,23H,5-9,14-16H2,1-4H3;13-14,16,18,22H,4-12,15,17H2,1-3H3;5-6,8-9,12,14,16-17H,7,10-11,13,15H2,1-4H3;9-10,12-13,15-16H,5-8,11,14H2,1-4H3;6-7,10-11,13,15-16H,5,8-9,12,14H2,1-4H3;9-10,12,14H,4-8,11,13H2,1-3H3;11-12H,5-10H2,1-4H3
InChIKeyGTIYGYHKXVGHFQ-UHFFFAOYSA-N
XLogP33.95
TPSA428.99 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds72
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002791.85
LogP ≤ 533.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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 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
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)
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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
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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
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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
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC(Oc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1C.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CC(=O)CCCCCS(=O)(=O)C(C)C)c1C.Cc1cc(-c2ccco2)ccc1CC(=O)CCC(C)CCS(=O)(=O)C(C)C.Cc1cc(-c2ncco2)ccc1CC(=O)CCC(C)CCS(=O)(=O)C(C)C.Cc1csc(-c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)c(C)c2)c1.
What is the InChIKey of 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?
The InChIKey is GTIYGYHKXVGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H36O4S.C22H30O4S.C22H30O3S2.C21H29NO4S.C19H27F3O3S.C18H26F3NO3S/c1-17(2)28(25,26)15-7-5-6-8-21(24)16-20-10-12-22(13-11-20)27-23-14-9-18(3)19(23)4;1-4-20-16-19(13-14-23(20)27-22-11-7-8-12-22)17-21(24)10-6-5-9-15-28(25,26)18(2)3;1-16(2)27(24,25)13-11-17(3)7-10-21(23)15-19-8-9-20(14-18(19)4)22-6-5-12-26-22;1-16(2)27(24,25)11-7-5-6-8-21(23)14-19-9-10-20(13-18(19)4)22-12-17(3)15-26-22;1-15(2)27(24,25)12-9-16(3)5-8-20(23)14-18-6-7-19(13-17(18)4)21-22-10-11-26-21;1-4-16-12-15(9-10-18(16)19(20,21)22)13-17(23)8-6-5-7-11-26(24,25)14(2)3;1-12(2)26(24,25)9-7-5-6-8-15(23)10-17-14(4)13(3)16(11-22-17)18(19,20)21/h10-13,17-19,23H,5-9,14-16H2,1-4H3;13-14,16,18,22H,4-12,15,17H2,1-3H3;5-6,8-9,12,14,16-17H,7,10-11,13,15H2,1-4H3;9-10,12-13,15-16H,5-8,11,14H2,1-4H3;6-7,10-11,13,15-16H,5,8-9,12,14H2,1-4H3;9-10,12,14H,4-8,11,13H2,1-3H3;11-12H,5-10H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2791.85 g/mol, XLogP of 33.95, 72 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158360047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).