1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone

C141H207NO23S7 — CID 159552043

IUPAC1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(OC3CCCC3)c2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3cccs3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(OC3CCOCC3)cc2)CC1.Cc1c(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)ccc(OC2CCCC2)c1C.Cc1cc(C(=O)NC(C)C)ccc1CC(=O)C1CCC(CS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C25H38O4S.C24H36O4S.C24H36O3S.C23H35NO4S.C23H34O5S.C22H28O3S2/c1-17(2)30(27,28)16-20-9-11-21(12-10-20)24(26)15-22-13-14-25(19(4)18(22)3)29-23-7-5-6-8-23;1-24(2,3)29(26,27)17-18-11-13-20(14-12-18)23(25)16-19-7-6-10-22(15-19)28-21-8-4-5-9-21;1-18(2)28(26,27)17-20-10-14-23(15-11-20)24(25)16-19-8-12-22(13-9-19)21-6-4-3-5-7-21;1-15(2)24-23(26)21-11-10-20(17(5)12-21)13-22(25)19-8-6-18(7-9-19)14-29(27,28)16(3)4;1-17(2)29(25,26)16-19-3-7-20(8-4-19)23(24)15-18-5-9-21(10-6-18)28-22-11-13-27-14-12-22;1-16(2)27(24,25)15-18-7-9-19(10-8-18)21(23)14-17-5-11-20(12-6-17)22-4-3-13-26-22/h13-14,17,20-21,23H,5-12,15-16H2,1-4H3;6-7,10,15,18,20-21H,4-5,8-9,11-14,16-17H2,1-3H3;8-9,12-13,18,20-21,23H,3-7,10-11,14-17H2,1-2H3;10-12,15-16,18-19H,6-9,13-14H2,1-5H3,(H,24,26);5-6,9-10,17,19-20,22H,3-4,7-8,11-16H2,1-2H3;3-6,11-13,16,18-19H,7-10,14-15H2,1-2H3
InChIKeyMFNBXHGUKSDDBU-UHFFFAOYSA-N
MW2508.66 g/mol
LogP29.00
Rot. Bonds45

About 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone

1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone (PubChem CID 159552043) has the molecular formula C141H207NO23S7 and a molecular weight of 2508.66 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone
PubChem CID159552043
Molecular FormulaC141H207NO23S7
Molecular Weight2508.66 g/mol
Exact Mass2506.31
IUPAC Name1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(OC3CCCC3)c2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3cccs3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(OC3CCOCC3)cc2)CC1.Cc1c(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)ccc(OC2CCCC2)c1C.Cc1cc(C(=O)NC(C)C)ccc1CC(=O)C1CCC(CS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C25H38O4S.C24H36O4S.C24H36O3S.C23H35NO4S.C23H34O5S.C22H28O3S2/c1-17(2)30(27,28)16-20-9-11-21(12-10-20)24(26)15-22-13-14-25(19(4)18(22)3)29-23-7-5-6-8-23;1-24(2,3)29(26,27)17-18-11-13-20(14-12-18)23(25)16-19-7-6-10-22(15-19)28-21-8-4-5-9-21;1-18(2)28(26,27)17-20-10-14-23(15-11-20)24(25)16-19-8-12-22(13-9-19)21-6-4-3-5-7-21;1-15(2)24-23(26)21-11-10-20(17(5)12-21)13-22(25)19-8-6-18(7-9-19)14-29(27,28)16(3)4;1-17(2)29(25,26)16-19-3-7-20(8-4-19)23(24)15-18-5-9-21(10-6-18)28-22-11-13-27-14-12-22;1-16(2)27(24,25)15-18-7-9-19(10-8-18)21(23)14-17-5-11-20(12-6-17)22-4-3-13-26-22/h13-14,17,20-21,23H,5-12,15-16H2,1-4H3;6-7,10,15,18,20-21H,4-5,8-9,11-14,16-17H2,1-3H3;8-9,12-13,18,20-21,23H,3-7,10-11,14-17H2,1-2H3;10-12,15-16,18-19H,6-9,13-14H2,1-5H3,(H,24,26);5-6,9-10,17,19-20,22H,3-4,7-8,11-16H2,1-2H3;3-6,11-13,16,18-19H,7-10,14-15H2,1-2H3
InChIKeyMFNBXHGUKSDDBU-UHFFFAOYSA-N
XLogP29.00
TPSA373.28 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds45
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002508.66
LogP ≤ 529.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone?
The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone (CID 159552043) is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone.
What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone?
The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone is CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(OC3CCCC3)c2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3cccs3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(OC3CCOCC3)cc2)CC1.Cc1c(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)ccc(OC2CCCC2)c1C.Cc1cc(C(=O)NC(C)C)ccc1CC(=O)C1CCC(CS(=O)(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone?
The InChIKey is MFNBXHGUKSDDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O4S.C24H36O4S.C24H36O3S.C23H35NO4S.C23H34O5S.C22H28O3S2/c1-17(2)30(27,28)16-20-9-11-21(12-10-20)24(26)15-22-13-14-25(19(4)18(22)3)29-23-7-5-6-8-23;1-24(2,3)29(26,27)17-18-11-13-20(14-12-18)23(25)16-19-7-6-10-22(15-19)28-21-8-4-5-9-21;1-18(2)28(26,27)17-20-10-14-23(15-11-20)24(25)16-19-8-12-22(13-9-19)21-6-4-3-5-7-21;1-15(2)24-23(26)21-11-10-20(17(5)12-21)13-22(25)19-8-6-18(7-9-19)14-29(27,28)16(3)4;1-17(2)29(25,26)16-19-3-7-20(8-4-19)23(24)15-18-5-9-21(10-6-18)28-22-11-13-27-14-12-22;1-16(2)27(24,25)15-18-7-9-19(10-8-18)21(23)14-17-5-11-20(12-6-17)22-4-3-13-26-22/h13-14,17,20-21,23H,5-12,15-16H2,1-4H3;6-7,10,15,18,20-21H,4-5,8-9,11-14,16-17H2,1-3H3;8-9,12-13,18,20-21,23H,3-7,10-11,14-17H2,1-2H3;10-12,15-16,18-19H,6-9,13-14H2,1-5H3,(H,24,26);5-6,9-10,17,19-20,22H,3-4,7-8,11-16H2,1-2H3;3-6,11-13,16,18-19H,7-10,14-15H2,1-2H3.
What are the key properties of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone?
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone has a molecular weight of 2508.66 g/mol, XLogP of 29.00, 45 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclopentyloxyphenyl)ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-cyclopentyloxy-2,3-dimethylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;3-methyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;2-[4-(oxan-4-yloxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-thiophen-2-ylphenyl)ethanone is sourced from PubChem (CID 159552043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).