1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one

C167H237F14NO30S8 — CID 159931654

IUPAC1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
SMILESCC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)c(OC(F)(F)F)c1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)cc1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O.CC(CCS(=O)(=O)C(C)C)C(C)C(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC1CC(C)CC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1.CC1CC(Oc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)CC(C)O1.CC1CCCC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1C.COc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C25H26F3NO5S.2C24H38O3S.C23H36O5S.C20H29F3O3S.C18H25F3O4S.C17H22F4O4S.C16H23FO3S/c1-16(2)35(33,34)13-5-3-4-6-20(30)14-17-7-12-21-22(15-17)24(32)29(23(21)31)19-10-8-18(9-11-19)25(26,27)28;1-18(2)28(26,27)16-7-5-6-10-23(25)17-21-12-14-22(15-13-21)24-11-8-9-19(3)20(24)4;1-18(2)28(26,27)13-7-5-6-8-24(25)17-21-9-11-22(12-10-21)23-15-19(3)14-20(4)16-23;1-17(2)29(25,26)13-7-5-6-8-21(24)16-20-9-11-22(12-10-20)28-23-14-18(3)27-19(4)15-23;1-13(2)27(25,26)11-10-14(3)15(4)16(5)19(24)12-17-6-8-18(9-7-17)20(21,22)23;1-13(2)26(23,24)10-6-4-5-7-15(22)11-14-8-9-16(18(19,20)21)17(12-14)25-3;1-12(2)26(23,24)9-5-3-4-6-14(22)10-13-7-8-15(18)16(11-13)25-17(19,20)21;1-13(2)21(19,20)11-5-3-4-6-16(18)12-14-7-9-15(17)10-8-14/h7-12,15-16H,3-6,13-14H2,1-2H3;12-15,18-20,24H,5-11,16-17H2,1-4H3;9-12,18-20,23H,5-8,13-17H2,1-4H3;9-12,17-19,23H,5-8,13-16H2,1-4H3;6-9,13-16H,10-12H2,1-5H3;8-9,12-13H,4-7,10-11H2,1-3H3;7-8,11-12H,3-6,9-10H2,1-2H3;7-10,13H,3-6,11-12H2,1-2H3
InChIKeyNZSHOEHGJJVOQZ-UHFFFAOYSA-N
MW3261.22 g/mol
LogP37.65
Rot. Bonds79

About 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one

1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one (PubChem CID 159931654) has the molecular formula C167H237F14NO30S8 and a molecular weight of 3261.22 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
PubChem CID159931654
Molecular FormulaC167H237F14NO30S8
Molecular Weight3261.22 g/mol
Exact Mass3258.46
IUPAC Name1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
SMILESCC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)c(OC(F)(F)F)c1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)cc1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O.CC(CCS(=O)(=O)C(C)C)C(C)C(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC1CC(C)CC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1.CC1CC(Oc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)CC(C)O1.CC1CCCC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1C.COc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C25H26F3NO5S.2C24H38O3S.C23H36O5S.C20H29F3O3S.C18H25F3O4S.C17H22F4O4S.C16H23FO3S/c1-16(2)35(33,34)13-5-3-4-6-20(30)14-17-7-12-21-22(15-17)24(32)29(23(21)31)19-10-8-18(9-11-19)25(26,27)28;1-18(2)28(26,27)16-7-5-6-10-23(25)17-21-12-14-22(15-13-21)24-11-8-9-19(3)20(24)4;1-18(2)28(26,27)13-7-5-6-8-24(25)17-21-9-11-22(12-10-21)23-15-19(3)14-20(4)16-23;1-17(2)29(25,26)13-7-5-6-8-21(24)16-20-9-11-22(12-10-20)28-23-14-18(3)27-19(4)15-23;1-13(2)27(25,26)11-10-14(3)15(4)16(5)19(24)12-17-6-8-18(9-7-17)20(21,22)23;1-13(2)26(23,24)10-6-4-5-7-15(22)11-14-8-9-16(18(19,20)21)17(12-14)25-3;1-12(2)26(23,24)9-5-3-4-6-14(22)10-13-7-8-15(18)16(11-13)25-17(19,20)21;1-13(2)21(19,20)11-5-3-4-6-16(18)12-14-7-9-15(17)10-8-14/h7-12,15-16H,3-6,13-14H2,1-2H3;12-15,18-20,24H,5-11,16-17H2,1-4H3;9-12,18-20,23H,5-8,13-17H2,1-4H3;9-12,17-19,23H,5-8,13-16H2,1-4H3;6-9,13-16H,10-12H2,1-5H3;8-9,12-13H,4-7,10-11H2,1-3H3;7-8,11-12H,3-6,9-10H2,1-2H3;7-10,13H,3-6,11-12H2,1-2H3
InChIKeyNZSHOEHGJJVOQZ-UHFFFAOYSA-N
XLogP37.65
TPSA483.98 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds79
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003261.22
LogP ≤ 537.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one 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

1-[4-(Tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(2,3-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;2-(3-morpholin-4-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzonitrile
CID 158135202
2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-(2-phenylethyl)benzene;4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;bis(2-methylpropane-2-sulfinate);tetrakis(propane-2-sulfinate);4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzonitrile
CID 158180718
1-(2,3-Dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;tris(propane-2-sulfinate)
CID 158500118
1-(2,3-Dimethylcyclohexyl)-4-(7-propan-2-ylsulfonylheptyl)benzene;2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenoxy]oxane;1-fluoro-4-(7-propan-2-ylsulfonylheptyl)-2-(trifluoromethoxy)benzene;2-methoxy-4-(7-propan-2-ylsulfonylheptyl)-1-(trifluoromethyl)benzene;5-(7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 158510832
1-(7-Tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
CID 159097243
1-[4-(Tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 159644630
1-[4-(Tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 159838230
7-tert-butylsulfonyl-1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(3-morpholin-4-ylphenyl)heptan-2-one;4-(7-tert-butylsulfonyl-2-oxoheptyl)benzonitrile;7-tert-butylsulfonyl-1-phenylheptan-2-one;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 159891781
1-[4-(Tert-butylsulfonylmethyl)phenyl]-2-[4-(2,3-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;2-(3-morpholin-4-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzonitrile
CID 160258666
7-tert-butylsulfonyl-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]heptan-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-ethylphenyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-methylphenyl)-7-propan-2-ylsulfonylheptan-2-one;1-(3-morpholin-4-ylphenyl)-7-propan-2-ylsulfonylheptan-2-one;4-(2-oxo-7-propan-2-ylsulfonylheptyl)benzonitrile;1-phenyl-7-propan-2-ylsulfonylheptan-2-one
CID 160781069
4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]benzonitrile;2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;(2S,6R)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-(2-phenylethyl)benzene;4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;hexakis(2-methylpropane-2-sulfinate)
CID 160795327
2-[4-(2,3-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 160822457

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?
The IUPAC name of 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one (CID 159931654) is 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one.
What is the SMILES notation for 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?
The canonical SMILES for 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one is CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)c(OC(F)(F)F)c1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)cc1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O.CC(CCS(=O)(=O)C(C)C)C(C)C(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC1CC(C)CC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1.CC1CC(Oc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)CC(C)O1.CC1CCCC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2)C1C.COc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F.
What is the InChIKey of 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?
The InChIKey is NZSHOEHGJJVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO5S.2C24H38O3S.C23H36O5S.C20H29F3O3S.C18H25F3O4S.C17H22F4O4S.C16H23FO3S/c1-16(2)35(33,34)13-5-3-4-6-20(30)14-17-7-12-21-22(15-17)24(32)29(23(21)31)19-10-8-18(9-11-19)25(26,27)28;1-18(2)28(26,27)16-7-5-6-10-23(25)17-21-12-14-22(15-13-21)24-11-8-9-19(3)20(24)4;1-18(2)28(26,27)13-7-5-6-8-24(25)17-21-9-11-22(12-10-21)23-15-19(3)14-20(4)16-23;1-17(2)29(25,26)13-7-5-6-8-21(24)16-20-9-11-22(12-10-20)28-23-14-18(3)27-19(4)15-23;1-13(2)27(25,26)11-10-14(3)15(4)16(5)19(24)12-17-6-8-18(9-7-17)20(21,22)23;1-13(2)26(23,24)10-6-4-5-7-15(22)11-14-8-9-16(18(19,20)21)17(12-14)25-3;1-12(2)26(23,24)9-5-3-4-6-14(22)10-13-7-8-15(18)16(11-13)25-17(19,20)21;1-13(2)21(19,20)11-5-3-4-6-16(18)12-14-7-9-15(17)10-8-14/h7-12,15-16H,3-6,13-14H2,1-2H3;12-15,18-20,24H,5-11,16-17H2,1-4H3;9-12,18-20,23H,5-8,13-17H2,1-4H3;9-12,17-19,23H,5-8,13-16H2,1-4H3;6-9,13-16H,10-12H2,1-5H3;8-9,12-13H,4-7,10-11H2,1-3H3;7-8,11-12H,3-6,9-10H2,1-2H3;7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?
1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one has a molecular weight of 3261.22 g/mol, XLogP of 37.65, 79 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one is sourced from PubChem (CID 159931654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).