2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide

C16H22N4O3S — CID 2558400

IUPAC2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
InChIInChI=1S/C16H22N4O3S/c1-11-6-8-14(9-7-11)17-15(21)10-20-13(3)16(12(2)18-20)24(22,23)19(4)5/h6-9H,10H2,1-5H3,(H,17,21)
InChIKeyWJQUBZHLPIVLQJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.70
Rot. Bonds5

About 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide

2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 2558400) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID2558400
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1
InChIInChI=1S/C16H22N4O3S/c1-11-6-8-14(9-7-11)17-15(21)10-20-13(3)16(12(2)18-20)24(22,23)19(4)5/h6-9H,10H2,1-5H3,(H,17,21)
InChIKeyWJQUBZHLPIVLQJ-UHFFFAOYSA-N
XLogP1.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide (CID 2558400) is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is WJQUBZHLPIVLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11-6-8-14(9-7-11)17-15(21)10-20-13(3)16(12(2)18-20)24(22,23)19(4)5/h6-9H,10H2,1-5H3,(H,17,21).
What are the key properties of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2558400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).