2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one

C15H22N2O3S — CID 83246539

IUPAC2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
SMILESCCc1ccc(C2NC(C)C(=O)N2CCS(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-4-12-5-7-13(8-6-12)14-16-11(2)15(18)17(14)9-10-21(3,19)20/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyGFKLMFFVGOBIQE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.11
Rot. Bonds5

About 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one

2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one (PubChem CID 83246539) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
PubChem CID83246539
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
SMILESCCc1ccc(C2NC(C)C(=O)N2CCS(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-4-12-5-7-13(8-6-12)14-16-11(2)15(18)17(14)9-10-21(3,19)20/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyGFKLMFFVGOBIQE-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one
CID 83237437
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248818
2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256040
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
5-methyl-2-(4-propan-2-ylphenyl)-3-propylimidazolidin-4-one
CID 115282125
3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one
CID 83239344
3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
CID 83238348
3-(2-ethoxyethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83236973
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83236742
3-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250403
3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83237246

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one (CID 83246539) is 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one is CCc1ccc(C2NC(C)C(=O)N2CCS(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The InChIKey is GFKLMFFVGOBIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-12-5-7-13(8-6-12)14-16-11(2)15(18)17(14)9-10-21(3,19)20/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one?
2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one has a molecular weight of 310.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one is sourced from PubChem (CID 83246539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).