N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide

C12H13N3O3S — CID 35203398

IUPACN-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C12H13N3O3S/c1-9-3-4-11(14-10(2)16)12(7-9)19(17,18)15-6-5-13-8-15/h3-8H,1-2H3,(H,14,16)
InChIKeyXLLCQFCWAFRBAR-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.39
Rot. Bonds3

About N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide

N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide (PubChem CID 35203398) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide
PubChem CID35203398
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C12H13N3O3S/c1-9-3-4-11(14-10(2)16)12(7-9)19(17,18)15-6-5-13-8-15/h3-8H,1-2H3,(H,14,16)
InChIKeyXLLCQFCWAFRBAR-UHFFFAOYSA-N
XLogP1.39
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole
CID 846896
N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 46287370
N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 53081527
N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 121193506
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037
N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 37419686
N-[2-[2-(benzimidazol-1-yl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 53063425
N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 97429548
N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide
CID 46325493
N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 95116732

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide?
The IUPAC name of N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide (CID 35203398) is N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide?
The canonical SMILES for N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)n1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide?
The InChIKey is XLLCQFCWAFRBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-9-3-4-11(14-10(2)16)12(7-9)19(17,18)15-6-5-13-8-15/h3-8H,1-2H3,(H,14,16).
What are the key properties of N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide?
N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide has a molecular weight of 279.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide is sourced from PubChem (CID 35203398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).