1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one

C20H20N2O5S — CID 8593954

IUPAC1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
SMILESCOc1ccc(S(=O)(=O)n2ccn(C(=O)CCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H20N2O5S/c1-27-17-10-12-18(13-11-17)28(25,26)22-15-14-21(20(22)24)19(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-15H,5,8-9H2,1H3
InChIKeyMVWJDQYCWLZQNZ-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.56
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one

1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one (PubChem CID 8593954) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
PubChem CID8593954
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
SMILESCOc1ccc(S(=O)(=O)n2ccn(C(=O)CCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H20N2O5S/c1-27-17-10-12-18(13-11-17)28(25,26)22-15-14-21(20(22)24)19(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-15H,5,8-9H2,1H3
InChIKeyMVWJDQYCWLZQNZ-UHFFFAOYSA-N
XLogP2.56
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8594036
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593899
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
CID 8594026
2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 91909937
benzyl 5-(4-methoxyphenyl)-2-oxopentanoate
CID 18370787
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenylheptanoic acid
CID 18790103
ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate
CID 10834308
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one (CID 8593954) is 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one is COc1ccc(S(=O)(=O)n2ccn(C(=O)CCCc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one?
The InChIKey is MVWJDQYCWLZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-27-17-10-12-18(13-11-17)28(25,26)22-15-14-21(20(22)24)19(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-15H,5,8-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one?
1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one has a molecular weight of 400.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one is sourced from PubChem (CID 8593954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).