1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one

C16H20N2O5S — CID 8593899

IUPAC1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
SMILESCCC(CC)C(=O)n1ccn(S(=O)(=O)c2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H20N2O5S/c1-4-12(5-2)15(19)17-10-11-18(16(17)20)24(21,22)14-8-6-13(23-3)7-9-14/h6-12H,4-5H2,1-3H3
InChIKeyGVHNVZDJTFQZAA-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.97
Rot. Bonds6

About 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one

1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one (PubChem CID 8593899) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
PubChem CID8593899
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
SMILESCCC(CC)C(=O)n1ccn(S(=O)(=O)c2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H20N2O5S/c1-4-12(5-2)15(19)17-10-11-18(16(17)20)24(21,22)14-8-6-13(23-3)7-9-14/h6-12H,4-5H2,1-3H3
InChIKeyGVHNVZDJTFQZAA-UHFFFAOYSA-N
XLogP1.97
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
CID 8593827
1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8593954
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
ethyl 4-[3-(4-methylphenyl)sulfonyl-2-oxoimidazol-1-yl]-4-oxobutanoate
CID 8593740
N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide
CID 8594127
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
CID 8594026
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8594158
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one (CID 8593899) is 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one is CCC(CC)C(=O)n1ccn(S(=O)(=O)c2ccc(OC)cc2)c1=O.
What is the InChIKey of 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one?
The InChIKey is GVHNVZDJTFQZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-4-12(5-2)15(19)17-10-11-18(16(17)20)24(21,22)14-8-6-13(23-3)7-9-14/h6-12H,4-5H2,1-3H3.
What are the key properties of 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one?
1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one has a molecular weight of 352.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).