1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone

C133H156F13NO19S6 — CID 158549695

IUPAC1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone
SMILESCC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1.CC1CC(C)CC(c2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1.CCOc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(C(=O)Cc2ccc(C(F)(F)F)cc2)c(C)cc1CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C27H36O3S.C22H25F3O4S.2C22H25F3O3S.C21H24F3NO3S.C19H21FO3S/c1-19-14-20(2)16-25(15-19)23-10-6-21(7-11-23)17-26(28)24-12-8-22(9-13-24)18-31(29,30)27(3,4)5;1-5-29-20-13-16(8-11-18(20)22(23,24)25)12-19(26)17-9-6-15(7-10-17)14-30(27,28)21(2,3)4;1-14-11-19(15(2)10-17(14)13-29(27,28)21(3,4)5)20(26)12-16-6-8-18(9-7-16)22(23,24)25;1-5-17-12-16(8-11-19(17)22(23,24)25)13-20(26)18-9-6-15(7-10-18)14-29(27,28)21(2,3)4;1-13-14(2)18(25-11-17(13)21(22,23)24)10-19(26)16-8-6-15(7-9-16)12-29(27,28)20(3,4)5;1-19(2,3)24(22,23)13-15-4-8-16(9-5-15)18(21)12-14-6-10-17(20)11-7-14/h6-13,19-20,25H,14-18H2,1-5H3;6-11,13H,5,12,14H2,1-4H3;6-11H,12-13H2,1-5H3;6-12H,5,13-14H2,1-4H3;6-9,11H,10,12H2,1-5H3;4-11H,12-13H2,1-3H3
InChIKeyHPOGQWVBRCPERP-UHFFFAOYSA-N
MW2512.07 g/mol
LogP31.30
Rot. Bonds34

About 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone

1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone (PubChem CID 158549695) has the molecular formula C133H156F13NO19S6 and a molecular weight of 2512.07 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone
PubChem CID158549695
Molecular FormulaC133H156F13NO19S6
Molecular Weight2512.07 g/mol
Exact Mass2509.94
IUPAC Name1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone
SMILESCC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1.CC1CC(C)CC(c2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1.CCOc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(C(=O)Cc2ccc(C(F)(F)F)cc2)c(C)cc1CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C27H36O3S.C22H25F3O4S.2C22H25F3O3S.C21H24F3NO3S.C19H21FO3S/c1-19-14-20(2)16-25(15-19)23-10-6-21(7-11-23)17-26(28)24-12-8-22(9-13-24)18-31(29,30)27(3,4)5;1-5-29-20-13-16(8-11-18(20)22(23,24)25)12-19(26)17-9-6-15(7-10-17)14-30(27,28)21(2,3)4;1-14-11-19(15(2)10-17(14)13-29(27,28)21(3,4)5)20(26)12-16-6-8-18(9-7-16)22(23,24)25;1-5-17-12-16(8-11-19(17)22(23,24)25)13-20(26)18-9-6-15(7-10-18)14-29(27,28)21(2,3)4;1-13-14(2)18(25-11-17(13)21(22,23)24)10-19(26)16-8-6-15(7-9-16)12-29(27,28)20(3,4)5;1-19(2,3)24(22,23)13-15-4-8-16(9-5-15)18(21)12-14-6-10-17(20)11-7-14/h6-13,19-20,25H,14-18H2,1-5H3;6-11,13H,5,12,14H2,1-4H3;6-11H,12-13H2,1-5H3;6-12H,5,13-14H2,1-4H3;6-9,11H,10,12H2,1-5H3;4-11H,12-13H2,1-3H3
InChIKeyHPOGQWVBRCPERP-UHFFFAOYSA-N
XLogP31.30
TPSA329.38 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002512.07
LogP ≤ 531.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone with MolForge

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Related Compounds

1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone
CID 157080499
1-(Tert-butylsulfonylmethyl)-2,5-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-fluoro-2-(trifluoromethoxy)benzene;1-(2,3-dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;1-(3,5-dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;2-ethoxy-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;tetrakis(2-methylpropane-2-sulfinate)
CID 157259791
3-amino-1-(4-ethylphenyl)prop-2-en-1-one;1-cyclohexyloxy-3-ethylbenzene;2-(4-ethyl-3-methylphenyl)furan;2-ethyl-3-methyl-5-(trifluoromethyl)pyridine;3-ethyl-N-propan-2-ylbenzenesulfonamide;4-ethyl-N-propan-2-ylbenzenesulfonamide;pentakis(methylcyclohexane);pentakis(propane-2-sulfinate);propan-2-ylsulfonylmethylcyclohexane
CID 157261702
1-[4-fluoro-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]phenyl]-2-(trifluoromethylsulfonyl)ethanone
CID 157393116
2-[4-(3,5-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[3-ethoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 157758094
2-(3-Cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-(cyclopropylmethoxy)-2-methylphenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-(furan-2-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-(1,2-oxazol-5-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 158168812
1-Cyclohexyloxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-cyclohexyloxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;4-(cyclopropylmethoxy)-2-methyl-1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan;3-methyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;5-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-oxazole
CID 158251943
2-[4-(3,5-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 159172816
1-(2,3-Dimethylcyclohexyl)-4-heptylbenzene;1-(3,5-dimethylcyclohexyl)-4-heptylbenzene;2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenoxy]oxane;1-fluoro-4-heptylbenzene;1-fluoro-4-(7-propan-2-ylsulfonylheptyl)-2-(trifluoromethoxy)benzene;2-heptyl-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-heptyl-2-methoxy-1-(trifluoromethyl)benzene;hexakis(propane-2-sulfinate);1-(trifluoromethyl)-4-(3,4,5-trimethylheptyl)benzene
CID 159230243
3-Amino-1-(4-ethylphenyl)prop-2-en-1-one;1-cyclohexyloxy-3-ethylbenzene;1-cyclohexyloxy-4-ethylbenzene;4-(cyclopropylmethoxy)-1-ethyl-2-methylbenzene;2-(4-ethyl-3-methylphenyl)furan;2-ethyl-3-methyl-5-(trifluoromethyl)pyridine;pentakis(methylcyclohexane);pentakis(propane-2-sulfinate);propan-2-ylsulfonylmethylcyclohexane
CID 159262209
7-Tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
CID 159292174
tris(1-(2,3-dihydro-1,4-benzodithiin-6-yl)-4-phenylbutane-1,4-dione);1-(2,3-dihydro-1,4-benzodithiin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-7-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-7-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-7-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-7-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 159706390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone (CID 158549695) is 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone is CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1.CC1CC(C)CC(c2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1.CCOc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.CCc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(C(=O)Cc2ccc(C(F)(F)F)cc2)c(C)cc1CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone?
The InChIKey is HPOGQWVBRCPERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O3S.C22H25F3O4S.2C22H25F3O3S.C21H24F3NO3S.C19H21FO3S/c1-19-14-20(2)16-25(15-19)23-10-6-21(7-11-23)17-26(28)24-12-8-22(9-13-24)18-31(29,30)27(3,4)5;1-5-29-20-13-16(8-11-18(20)22(23,24)25)12-19(26)17-9-6-15(7-10-17)14-30(27,28)21(2,3)4;1-14-11-19(15(2)10-17(14)13-29(27,28)21(3,4)5)20(26)12-16-6-8-18(9-7-16)22(23,24)25;1-5-17-12-16(8-11-19(17)22(23,24)25)13-20(26)18-9-6-15(7-10-18)14-29(27,28)21(2,3)4;1-13-14(2)18(25-11-17(13)21(22,23)24)10-19(26)16-8-6-15(7-9-16)12-29(27,28)20(3,4)5;1-19(2,3)24(22,23)13-15-4-8-16(9-5-15)18(21)12-14-6-10-17(20)11-7-14/h6-13,19-20,25H,14-18H2,1-5H3;6-11,13H,5,12,14H2,1-4H3;6-11H,12-13H2,1-5H3;6-12H,5,13-14H2,1-4H3;6-9,11H,10,12H2,1-5H3;4-11H,12-13H2,1-3H3.
What are the key properties of 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone?
1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone has a molecular weight of 2512.07 g/mol, XLogP of 31.30, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 158549695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).