5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one

C14H22N2O3S2 — CID 83269104

IUPAC5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(CC(C)(C)S(C)(=O)=O)C1=O
InChIInChI=1S/C14H22N2O3S2/c1-5-10-13(17)16(9-14(2,3)21(4,18)19)12(15-10)11-7-6-8-20-11/h6-8,10,12,15H,5,9H2,1-4H3
InChIKeyZLEFQPXFKKPBTB-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.78
Rot. Bonds5

About 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one

5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83269104) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83269104
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(CC(C)(C)S(C)(=O)=O)C1=O
InChIInChI=1S/C14H22N2O3S2/c1-5-10-13(17)16(9-14(2,3)21(4,18)19)12(15-10)11-7-6-8-20-11/h6-8,10,12,15H,5,9H2,1-4H3
InChIKeyZLEFQPXFKKPBTB-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyclohexylethyl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246276
3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83255729
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
5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270283
3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 105421093
5-ethyl-3-(4-methylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83239488
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83262811
5-ethyl-3-(3-ethyl-2-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83266925
5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83253806
3-(2-methoxyethyl)-5-(2-methylpropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83242785

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83269104) is 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one is CCC1NC(c2cccs2)N(CC(C)(C)S(C)(=O)=O)C1=O.
What is the InChIKey of 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is ZLEFQPXFKKPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-5-10-13(17)16(9-14(2,3)21(4,18)19)12(15-10)11-7-6-8-20-11/h6-8,10,12,15H,5,9H2,1-4H3.
What are the key properties of 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one?
5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 330.48 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83269104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).