2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide

C16H22N4O3S — CID 46472171

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H22N4O3S/c1-12-9-13(2)20(18-12)11-16(21)17-10-14-7-5-6-8-15(14)24(22,23)19(3)4/h5-9H,10-11H2,1-4H3,(H,17,21)
InChIKeyOCNDJBLMAFCWSK-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.07
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 46472171) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID46472171
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H22N4O3S/c1-12-9-13(2)20(18-12)11-16(21)17-10-14-7-5-6-8-15(14)24(22,23)19(3)4/h5-9H,10-11H2,1-4H3,(H,17,21)
InChIKeyOCNDJBLMAFCWSK-UHFFFAOYSA-N
XLogP1.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 55523655
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(N-ethyl-3,5-dimethylanilino)acetamide
CID 55865470
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 55859179
2-(2,6-dimethylmorpholin-4-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 47020357
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140563
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzenesulfonyl fluoride
CID 116814136
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide
CID 55540372
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 29455429
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 46472171) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is Cc1cc(C)n(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is OCNDJBLMAFCWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12-9-13(2)20(18-12)11-16(21)17-10-14-7-5-6-8-15(14)24(22,23)19(3)4/h5-9H,10-11H2,1-4H3,(H,17,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46472171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).