3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one

C13H20N2O3S2 — CID 83255729

IUPAC3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C13H20N2O3S2/c1-3-5-10-13(16)15(7-9-20(2,17)18)12(14-10)11-6-4-8-19-11/h4,6,8,10,12,14H,3,5,7,9H2,1-2H3
InChIKeyKLVBUUWDNRKNFO-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.39
Rot. Bonds6

About 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one

3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83255729) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83255729
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C13H20N2O3S2/c1-3-5-10-13(16)15(7-9-20(2,17)18)12(14-10)11-6-4-8-19-11/h4,6,8,10,12,14H,3,5,7,9H2,1-2H3
InChIKeyKLVBUUWDNRKNFO-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one 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

3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83262811
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 83256806
5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83237065
3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 106021786
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83269104
3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83268306
3-(2-cyclohexylethyl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246276
5-ethyl-3-(4-methylpentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83255454
3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246154
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one (CID 83255729) is 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one is CCCC1NC(c2cccs2)N(CCS(C)(=O)=O)C1=O.
What is the InChIKey of 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is KLVBUUWDNRKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-3-5-10-13(16)15(7-9-20(2,17)18)12(14-10)11-6-4-8-19-11/h4,6,8,10,12,14H,3,5,7,9H2,1-2H3.
What are the key properties of 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 316.45 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83255729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).