1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one

C20H20N2O6S — CID 8594026

IUPAC1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
SMILESCOc1cccc(OCC(=O)n2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)c1
InChIInChI=1S/C20H20N2O6S/c1-14-7-8-18(11-15(14)2)29(25,26)22-10-9-21(20(22)24)19(23)13-28-17-6-4-5-16(12-17)27-3/h4-12H,13H2,1-3H3
InChIKeyTUEWDXUPSXVTAE-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.23
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one

1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one (PubChem CID 8594026) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
PubChem CID8594026
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
SMILESCOc1cccc(OCC(=O)n2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)c1
InChIInChI=1S/C20H20N2O6S/c1-14-7-8-18(11-15(14)2)29(25,26)22-10-9-21(20(22)24)19(23)13-28-17-6-4-5-16(12-17)27-3/h4-12H,13H2,1-3H3
InChIKeyTUEWDXUPSXVTAE-UHFFFAOYSA-N
XLogP2.23
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methylphenoxy)acetyl]imidazol-2-one
CID 8594029
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8594158
1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
CID 8593851
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 2052018
(Z)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 2674821
2-(3-methoxyphenoxy)-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493100
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 37148868
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide
CID 3877671
2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 16826979

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one (CID 8594026) is 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one is COc1cccc(OCC(=O)n2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one?
The InChIKey is TUEWDXUPSXVTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-14-7-8-18(11-15(14)2)29(25,26)22-10-9-21(20(22)24)19(23)13-28-17-6-4-5-16(12-17)27-3/h4-12H,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one?
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one has a molecular weight of 416.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one is sourced from PubChem (CID 8594026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).