2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone

C122H169F14NO20S6 — CID 161211407

IUPAC2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(F)cc2)CC1.CC1CC(C)CC(c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1.COc1cc(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)c1C
InChIInChI=1S/C26H40O3S.C20H28F3NO3S.C20H27F3O4S.C19H24F4O4S.C19H25F3O3S.C18H25FO3S/c1-18(2)30(28,29)17-22-7-11-24(12-8-22)26(27)16-21-5-9-23(10-6-21)25-14-19(3)13-20(4)15-25;1-12(2)28(26,27)11-15-5-7-16(8-6-15)19(25)9-18-14(4)13(3)17(10-24-18)20(21,22)23;1-13(2)28(25,26)12-14-4-7-16(8-5-14)18(24)10-15-6-9-17(20(21,22)23)19(11-15)27-3;1-12(2)28(25,26)11-13-3-6-15(7-4-13)17(24)9-14-5-8-16(20)18(10-14)27-19(21,22)23;1-13(2)26(24,25)12-15-3-7-16(8-4-15)18(23)11-14-5-9-17(10-6-14)19(20,21)22;1-13(2)23(21,22)12-15-3-7-16(8-4-15)18(20)11-14-5-9-17(19)10-6-14/h5-6,9-10,18-20,22,24-25H,7-8,11-17H2,1-4H3;10,12,15-16H,5-9,11H2,1-4H3;6,9,11,13-14,16H,4-5,7-8,10,12H2,1-3H3;5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3;5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3;5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3
InChIKeyUWGXXHVBERFBQJ-UHFFFAOYSA-N
MW2428.05 g/mol
LogP27.36
Rot. Bonds39

About 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone

2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 161211407) has the molecular formula C122H169F14NO20S6 and a molecular weight of 2428.05 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID161211407
Molecular FormulaC122H169F14NO20S6
Molecular Weight2428.05 g/mol
Exact Mass2426.03
IUPAC Name2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(F)cc2)CC1.CC1CC(C)CC(c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1.COc1cc(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)c1C
InChIInChI=1S/C26H40O3S.C20H28F3NO3S.C20H27F3O4S.C19H24F4O4S.C19H25F3O3S.C18H25FO3S/c1-18(2)30(28,29)17-22-7-11-24(12-8-22)26(27)16-21-5-9-23(10-6-21)25-14-19(3)13-20(4)15-25;1-12(2)28(26,27)11-15-5-7-16(8-6-15)19(25)9-18-14(4)13(3)17(10-24-18)20(21,22)23;1-13(2)28(25,26)12-14-4-7-16(8-5-14)18(24)10-15-6-9-17(20(21,22)23)19(11-15)27-3;1-12(2)28(25,26)11-13-3-6-15(7-4-13)17(24)9-14-5-8-16(20)18(10-14)27-19(21,22)23;1-13(2)26(24,25)12-15-3-7-16(8-4-15)18(23)11-14-5-9-17(10-6-14)19(20,21)22;1-13(2)23(21,22)12-15-3-7-16(8-4-15)18(20)11-14-5-9-17(19)10-6-14/h5-6,9-10,18-20,22,24-25H,7-8,11-17H2,1-4H3;10,12,15-16H,5-9,11H2,1-4H3;6,9,11,13-14,16H,4-5,7-8,10,12H2,1-3H3;5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3;5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3;5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3
InChIKeyUWGXXHVBERFBQJ-UHFFFAOYSA-N
XLogP27.36
TPSA338.61 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds39
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002428.05
LogP ≤ 527.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 161211407) is 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone is CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(F)cc2)CC1.CC1CC(C)CC(c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1.COc1cc(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)c1C.
What is the InChIKey of 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UWGXXHVBERFBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O3S.C20H28F3NO3S.C20H27F3O4S.C19H24F4O4S.C19H25F3O3S.C18H25FO3S/c1-18(2)30(28,29)17-22-7-11-24(12-8-22)26(27)16-21-5-9-23(10-6-21)25-14-19(3)13-20(4)15-25;1-12(2)28(26,27)11-15-5-7-16(8-6-15)19(25)9-18-14(4)13(3)17(10-24-18)20(21,22)23;1-13(2)28(25,26)12-14-4-7-16(8-5-14)18(24)10-15-6-9-17(20(21,22)23)19(11-15)27-3;1-12(2)28(25,26)11-13-3-6-15(7-4-13)17(24)9-14-5-8-16(20)18(10-14)27-19(21,22)23;1-13(2)26(24,25)12-15-3-7-16(8-4-15)18(23)11-14-5-9-17(10-6-14)19(20,21)22;1-13(2)23(21,22)12-15-3-7-16(8-4-15)18(20)11-14-5-9-17(19)10-6-14/h5-6,9-10,18-20,22,24-25H,7-8,11-17H2,1-4H3;10,12,15-16H,5-9,11H2,1-4H3;6,9,11,13-14,16H,4-5,7-8,10,12H2,1-3H3;5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3;5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3;5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone?
2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2428.05 g/mol, XLogP of 27.36, 39 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 161211407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).