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

C19H24N2O5S — CID 8593908

IUPAC1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
SMILESCOc1ccc(S(=O)(=O)n2ccn(C(=O)CCC3CCCCC3)c2=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-26-16-8-10-17(11-9-16)27(24,25)21-14-13-20(19(21)23)18(22)12-7-15-5-3-2-4-6-15/h8-11,13-15H,2-7,12H2,1H3
InChIKeyCKUVPLKDTPCJAG-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.90
Rot. Bonds6

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

1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one (PubChem CID 8593908) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
PubChem CID8593908
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
SMILESCOc1ccc(S(=O)(=O)n2ccn(C(=O)CCC3CCCCC3)c2=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-26-16-8-10-17(11-9-16)27(24,25)21-14-13-20(19(21)23)18(22)12-7-15-5-3-2-4-6-15/h8-11,13-15H,2-7,12H2,1H3
InChIKeyCKUVPLKDTPCJAG-UHFFFAOYSA-N
XLogP2.90
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8593954
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593899
N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide
CID 8594127
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
3-cyclopentyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 95575791
3-[1-[2-(4-methoxyphenoxy)acetyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42160228
1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26360727
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
CID 8594026

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one (CID 8593908) is 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one is COc1ccc(S(=O)(=O)n2ccn(C(=O)CCC3CCCCC3)c2=O)cc1.
What is the InChIKey of 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one?
The InChIKey is CKUVPLKDTPCJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-26-16-8-10-17(11-9-16)27(24,25)21-14-13-20(19(21)23)18(22)12-7-15-5-3-2-4-6-15/h8-11,13-15H,2-7,12H2,1H3.
What are the key properties of 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one?
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one has a molecular weight of 392.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).