2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one

C14H20N2O3S2 — CID 83246059

IUPAC2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
SMILESCSc1ccc(C2NCC(=O)N2CCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S2/c1-20-12-6-4-11(5-7-12)14-15-10-13(17)16(14)8-3-9-21(2,18)19/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyFQHXEKQADNNLQT-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.27
Rot. Bonds6

About 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one

2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one (PubChem CID 83246059) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
PubChem CID83246059
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
SMILESCSc1ccc(C2NCC(=O)N2CCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S2/c1-20-12-6-4-11(5-7-12)14-15-10-13(17)16(14)8-3-9-21(2,18)19/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyFQHXEKQADNNLQT-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256040
3-(3-methylsulfonylpropyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83246858
2-(3-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256699
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494
2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83246302
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260276
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238040
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83257123
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-fluorophenyl)imidazolidin-4-one
CID 83254925

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one (CID 83246059) is 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one is CSc1ccc(C2NCC(=O)N2CCCS(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The InChIKey is FQHXEKQADNNLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-20-12-6-4-11(5-7-12)14-15-10-13(17)16(14)8-3-9-21(2,18)19/h4-7,14-15H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one has a molecular weight of 328.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83246059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).