1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone

C24H36O4S — CID 58144218

IUPAC1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C24H36O4S/c1-24(2,3)29(26,27)17-19-8-12-20(13-9-19)23(25)16-18-10-14-22(15-11-18)28-21-6-4-5-7-21/h10-11,14-15,19-21H,4-9,12-13,16-17H2,1-3H3
InChIKeyPTDMPJNSSLCEPE-UHFFFAOYSA-N
MW420.62 g/mol
LogP5.14
Rot. Bonds7

About 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone

1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone (PubChem CID 58144218) has the molecular formula C24H36O4S and a molecular weight of 420.62 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone
PubChem CID58144218
Molecular FormulaC24H36O4S
Molecular Weight420.62 g/mol
Exact Mass420.23
IUPAC Name1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C24H36O4S/c1-24(2,3)29(26,27)17-19-8-12-20(13-9-19)23(25)16-18-10-14-22(15-11-18)28-21-6-4-5-7-21/h10-11,14-15,19-21H,4-9,12-13,16-17H2,1-3H3
InChIKeyPTDMPJNSSLCEPE-UHFFFAOYSA-N
XLogP5.14
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclohexyloxyphenyl)ethanone
CID 58144955
2-(4-tert-butylphenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145202
N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-N-methylacetamide
CID 58144500
2-(3-aminophenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145405
1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one
CID 58145747
1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-4-one
CID 58144066
1-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrrolidin-1-ylphenyl)ethanone
CID 58145673
2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone
CID 58144646
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(2,4,6-trifluorophenyl)ethanone
CID 58144939
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone
CID 158245523
3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
CID 82161370

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone?
The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone (CID 58144218) is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone?
The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone is CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(OC3CCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone?
The InChIKey is PTDMPJNSSLCEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O4S/c1-24(2,3)29(26,27)17-19-8-12-20(13-9-19)23(25)16-18-10-14-22(15-11-18)28-21-6-4-5-7-21/h10-11,14-15,19-21H,4-9,12-13,16-17H2,1-3H3.
What are the key properties of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone?
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone has a molecular weight of 420.62 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone is sourced from PubChem (CID 58144218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).