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

C17H20N2O4S — CID 8593975

IUPAC1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)C3CCCC3)c2=O)cc1C
InChIInChI=1S/C17H20N2O4S/c1-12-7-8-15(11-13(12)2)24(22,23)19-10-9-18(17(19)21)16(20)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3
InChIKeyODKCAUVIKXVRNA-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.33
Rot. Bonds3

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

1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one (PubChem CID 8593975) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
PubChem CID8593975
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)C3CCCC3)c2=O)cc1C
InChIInChI=1S/C17H20N2O4S/c1-12-7-8-15(11-13(12)2)24(22,23)19-10-9-18(17(19)21)16(20)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3
InChIKeyODKCAUVIKXVRNA-UHFFFAOYSA-N
XLogP2.33
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
CID 8593979
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methylphenoxy)acetyl]imidazol-2-one
CID 8594029
1-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8594036
1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
CID 8593851
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
CID 8594026
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 8699978
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 24667255
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclohexyl-[4-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55853869
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-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one (CID 8593975) is 1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one is Cc1ccc(S(=O)(=O)n2ccn(C(=O)C3CCCC3)c2=O)cc1C.
What is the InChIKey of 1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one?
The InChIKey is ODKCAUVIKXVRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-7-8-15(11-13(12)2)24(22,23)19-10-9-18(17(19)21)16(20)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one?
1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one has a molecular weight of 348.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).