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

C14H20N2O3S — CID 83256040

IUPAC2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
SMILESCCc1ccc(C2NCC(=O)N2CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-11-4-6-12(7-5-11)14-15-10-13(17)16(14)8-9-20(2,18)19/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyKWDSBCALKAWXHN-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.72
Rot. Bonds5

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

2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one (PubChem CID 83256040) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
PubChem CID83256040
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
SMILESCCc1ccc(C2NCC(=O)N2CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-11-4-6-12(7-5-11)14-15-10-13(17)16(14)8-9-20(2,18)19/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyKWDSBCALKAWXHN-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256699
3-(cyclopropylmethyl)-2-(4-ethylphenyl)imidazolidin-4-one
CID 83251072
2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83246539
2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83246059
2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83246302
3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
2-(4-ethylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83269561
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
2-(4-propoxyphenyl)-3-propylimidazolidin-4-one
CID 115282100
3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83238354
3-(3-methylsulfonylpropyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83246858
2-(4-ethoxyphenyl)-3-(3-methylbutyl)imidazolidin-4-one
CID 83236919

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one (CID 83256040) is 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one is CCc1ccc(C2NCC(=O)N2CCS(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The InChIKey is KWDSBCALKAWXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-11-4-6-12(7-5-11)14-15-10-13(17)16(14)8-9-20(2,18)19/h4-7,14-15H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one?
2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one has a molecular weight of 296.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one is sourced from PubChem (CID 83256040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).