1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one

C13H14N2O5S — CID 8593738

IUPAC1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCOCC(=O)n1ccn(S(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C13H14N2O5S/c1-10-3-5-11(6-4-10)21(18,19)15-8-7-14(13(15)17)12(16)9-20-2/h3-8H,9H2,1-2H3
InChIKeyYXEOCZWAMAQZOS-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.48
Rot. Bonds4

About 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one

1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one (PubChem CID 8593738) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
PubChem CID8593738
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCOCC(=O)n1ccn(S(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C13H14N2O5S/c1-10-3-5-11(6-4-10)21(18,19)15-8-7-14(13(15)17)12(16)9-20-2/h3-8H,9H2,1-2H3
InChIKeyYXEOCZWAMAQZOS-UHFFFAOYSA-N
XLogP0.48
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[3-(4-methylphenyl)sulfonyl-2-oxoimidazol-1-yl]-4-oxobutanoate
CID 8593740
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methylphenoxy)acetyl]imidazol-2-one
CID 8594029
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
CID 8594026
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 18569068
2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9495897
1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one
CID 8593825
1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8593954
1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593899
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one (CID 8593738) is 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one is COCC(=O)n1ccn(S(=O)(=O)c2ccc(C)cc2)c1=O.
What is the InChIKey of 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The InChIKey is YXEOCZWAMAQZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-10-3-5-11(6-4-10)21(18,19)15-8-7-14(13(15)17)12(16)9-20-2/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one has a molecular weight of 310.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).