2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone

C18H26O3S — CID 58145691

IUPAC2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
SMILESCC(C)S(=O)(=O)Cc1ccc(C(=O)CC2CCCCC2)cc1
InChIInChI=1S/C18H26O3S/c1-14(2)22(20,21)13-16-8-10-17(11-9-16)18(19)12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyVLAZMFCMJBPHGX-UHFFFAOYSA-N
MW322.47 g/mol
LogP4.16
Rot. Bonds6

About 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone

2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone (PubChem CID 58145691) has the molecular formula C18H26O3S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
PubChem CID58145691
Molecular FormulaC18H26O3S
Molecular Weight322.47 g/mol
Exact Mass322.16
IUPAC Name2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
SMILESCC(C)S(=O)(=O)Cc1ccc(C(=O)CC2CCCCC2)cc1
InChIInChI=1S/C18H26O3S/c1-14(2)22(20,21)13-16-8-10-17(11-9-16)18(19)12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyVLAZMFCMJBPHGX-UHFFFAOYSA-N
XLogP4.16
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145595
N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide
CID 58145128
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-(3-cyclopentyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145169
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
CID 106848056
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide
CID 58143729
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone (CID 58145691) is 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone is CC(C)S(=O)(=O)Cc1ccc(C(=O)CC2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone?
The InChIKey is VLAZMFCMJBPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3S/c1-14(2)22(20,21)13-16-8-10-17(11-9-16)18(19)12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone?
2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone has a molecular weight of 322.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone is sourced from PubChem (CID 58145691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).