1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone

C15H22O3S — CID 107767926

IUPAC1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)(=O)CCC(C)C)cc1
InChIInChI=1S/C15H22O3S/c1-4-13-5-7-14(8-6-13)15(16)11-19(17,18)10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyIGYZVCDIGPSCGL-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.89
Rot. Bonds7

About 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone

1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone (PubChem CID 107767926) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone
PubChem CID107767926
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)(=O)CCC(C)C)cc1
InChIInChI=1S/C15H22O3S/c1-4-13-5-7-14(8-6-13)15(16)11-19(17,18)10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyIGYZVCDIGPSCGL-UHFFFAOYSA-N
XLogP2.89
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-2-propylsulfonylethanone
CID 64641647
1-(2-chlorophenyl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767968
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767899
1-(4-chlorophenyl)-2-(2-methylpropylsulfonyl)ethanone
CID 64642371
1-[4-(3,3-dimethylbutan-2-yl)phenyl]-2-ethylsulfonylethanone
CID 159142469
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
1-(4-ethylphenyl)-2-methylsulfonylpropan-1-one
CID 62784024
1-(4-bromophenyl)-2-butylsulfonylethanone
CID 64636338
2-ethylsulfonyl-1-phenylethanone
CID 19033550
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
4-[2-(4-methylphenyl)-2-oxoethyl]sulfonylbutan-2-one
CID 83970901

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone (CID 107767926) is 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone is CCc1ccc(C(=O)CS(=O)(=O)CCC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone?
The InChIKey is IGYZVCDIGPSCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-4-13-5-7-14(8-6-13)15(16)11-19(17,18)10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone?
1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone has a molecular weight of 282.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone is sourced from PubChem (CID 107767926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).