1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one

C18H22N2O4S — CID 8593979

IUPAC1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)CC3CCCC3)c2=O)cc1C
InChIInChI=1S/C18H22N2O4S/c1-13-7-8-16(11-14(13)2)25(23,24)20-10-9-19(18(20)22)17(21)12-15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3
InChIKeyYLXSYUFGAXDIAM-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one

1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one (PubChem CID 8593979) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
PubChem CID8593979
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)CC3CCCC3)c2=O)cc1C
InChIInChI=1S/C18H22N2O4S/c1-13-7-8-16(11-14(13)2)25(23,24)20-10-9-19(18(20)22)17(21)12-15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3
InChIKeyYLXSYUFGAXDIAM-UHFFFAOYSA-N
XLogP2.72
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
CID 8593975
1-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8594036
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-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908
1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
CID 8593851
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 8594164
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one (CID 8593979) is 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one is Cc1ccc(S(=O)(=O)n2ccn(C(=O)CC3CCCC3)c2=O)cc1C.
What is the InChIKey of 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one?
The InChIKey is YLXSYUFGAXDIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-7-8-16(11-14(13)2)25(23,24)20-10-9-19(18(20)22)17(21)12-15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3.
What are the key properties of 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one?
1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one has a molecular weight of 362.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).