5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

C13H20N2O3S2 — CID 83263809

IUPAC5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C13H20N2O3S2/c1-4-11-13(16)15(9(2)8-20(3,17)18)12(14-11)10-5-6-19-7-10/h5-7,9,11-12,14H,4,8H2,1-3H3
InChIKeyZMFNCVMPNQXQLL-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.39
Rot. Bonds5

About 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83263809) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83263809
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C13H20N2O3S2/c1-4-11-13(16)15(9(2)8-20(3,17)18)12(14-11)10-5-6-19-7-10/h5-7,9,11-12,14H,4,8H2,1-3H3
InChIKeyZMFNCVMPNQXQLL-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

5-ethyl-3-pentan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83240083
5-ethyl-3-hexan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252367
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248366
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275
3-[4-(dimethylamino)butan-2-yl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253318
5-ethyl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242612
5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264729
5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83243016
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 104830760
3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83243366
3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252691
5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83251878

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (CID 83263809) is 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is CCC1NC(c2ccsc2)N(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is ZMFNCVMPNQXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-4-11-13(16)15(9(2)8-20(3,17)18)12(14-11)10-5-6-19-7-10/h5-7,9,11-12,14H,4,8H2,1-3H3.
What are the key properties of 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 316.45 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83263809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).