5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C14H22N2O3S2 — CID 83264275

IUPAC5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)s2)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C14H22N2O3S2/c1-5-11-14(17)16(9(2)8-21(4,18)19)13(15-11)12-7-6-10(3)20-12/h6-7,9,11,13,15H,5,8H2,1-4H3
InChIKeyWEOGNEHYRNHXNW-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.70
Rot. Bonds5

About 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83264275) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83264275
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)s2)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C14H22N2O3S2/c1-5-11-14(17)16(9(2)8-21(4,18)19)13(15-11)12-7-6-10(3)20-12/h6-7,9,11,13,15H,5,8H2,1-4H3
InChIKeyWEOGNEHYRNHXNW-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263809
5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264729
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006
3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83247626
5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245916
3-[2-(dimethylamino)ethyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83251342
3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83263977
5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83242674
3-(cyclopentylmethyl)-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244248
5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433236
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83264436
5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83263978

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83264275) is 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCC1NC(c2ccc(C)s2)N(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is WEOGNEHYRNHXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-5-11-14(17)16(9(2)8-21(4,18)19)13(15-11)12-7-6-10(3)20-12/h6-7,9,11,13,15H,5,8H2,1-4H3.
What are the key properties of 5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 330.48 g/mol, XLogP of 1.70, 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-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83264275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).