2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide

C20H21N3O5S — CID 8594158

IUPAC2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)cc1
InChIInChI=1S/C20H21N3O5S/c1-14-4-9-18(12-15(14)2)29(26,27)23-11-10-22(20(23)25)13-19(24)21-16-5-7-17(28-3)8-6-16/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyFMJOCKYCXUXSJT-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.15
Rot. Bonds6

About 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide

2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 8594158) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID8594158
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)cc1
InChIInChI=1S/C20H21N3O5S/c1-14-4-9-18(12-15(14)2)29(26,27)23-11-10-22(20(23)25)13-19(24)21-16-5-7-17(28-3)8-6-16/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyFMJOCKYCXUXSJT-UHFFFAOYSA-N
XLogP2.15
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]acetamide
CID 20931472
N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide
CID 8594127
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46457488
N-(4-methoxyphenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116624934
2-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16815540
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
CID 8594026
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 53024289
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 8594158) is 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)c(C)c3)c2=O)cc1.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is FMJOCKYCXUXSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-14-4-9-18(12-15(14)2)29(26,27)23-11-10-22(20(23)25)13-19(24)21-16-5-7-17(28-3)8-6-16/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 8594158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).