2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide

C13H15N3O3S — CID 23858228

IUPAC2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2nccn2C)c1
InChIInChI=1S/C13H15N3O3S/c1-10-4-3-5-11(8-10)15-12(17)9-20(18,19)13-14-6-7-16(13)2/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyJTOUKKRITMPOSE-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.14
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide

2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide (PubChem CID 23858228) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide
PubChem CID23858228
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2nccn2C)c1
InChIInChI=1S/C13H15N3O3S/c1-10-4-3-5-11(8-10)15-12(17)9-20(18,19)13-14-6-7-16(13)2/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyJTOUKKRITMPOSE-UHFFFAOYSA-N
XLogP1.14
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 86992898
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate
CID 7732178
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
N-(3-methylphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368875
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 28695722
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337979
ethyl 1-methyl-4-[methyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284046
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
CID 43546022

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide (CID 23858228) is 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CS(=O)(=O)c2nccn2C)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide?
The InChIKey is JTOUKKRITMPOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-10-4-3-5-11(8-10)15-12(17)9-20(18,19)13-14-6-7-16(13)2/h3-8H,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide?
2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 23858228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).