5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one

C15H22N2O3S — CID 83263978

IUPAC5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2C(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-10-5-7-13(8-6-10)14-16-12(3)15(18)17(14)11(2)9-21(4,19)20/h5-8,11-12,14,16H,9H2,1-4H3
InChIKeyVUSUPGVMUJCKIL-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.25
Rot. Bonds4

About 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one

5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one (PubChem CID 83263978) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
PubChem CID83263978
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2C(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-10-5-7-13(8-6-10)14-16-12(3)15(18)17(14)11(2)9-21(4,19)20/h5-8,11-12,14,16H,9H2,1-4H3
InChIKeyVUSUPGVMUJCKIL-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-(2-(methylthio)ethyl)-2-thioxoimidazolidin-4-one
CID 2901741
N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
1-benzyl-4-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 4962447
N-{2-[Benzyl(methyl)amino]ethyl}-3-[(4-methylphenyl)methanesulfonyl]propanamide
CID 4173905
2-[benzylsulfonyl(2-methylpropyl)amino]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 45488369
2-(1,4-dioxo-2-phenyl-1,3-thiazolidin-3-yl)-N-octadecylacetamide
CID 10006337
N-octadecyl-2-(1,1,4-trioxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11756449
3-Benzyl-5-methylimidazolidine-2,4-dione
CID 13109358
3-[(4-methylbenzyl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 3245867
(4S)-2-(4-methylphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 44399748
(2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylsulfanylbutanamide
CID 70692312
2-acetamido-N-benzyl-4-methylsulfanylbutanamide
CID 17913853

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one (CID 83263978) is 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2C(C)CS(C)(=O)=O)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The InChIKey is VUSUPGVMUJCKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-5-7-13(8-6-10)14-16-12(3)15(18)17(14)11(2)9-21(4,19)20/h5-8,11-12,14,16H,9H2,1-4H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one has a molecular weight of 310.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83263978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).