N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide

C22H26N4O3S — CID 60552677

IUPACN-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)20-12-11-17(3)21(13-20)22(27)24-19-14-23-25(16-19)15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,24,27)
InChIKeyWKWBQIAHPACSLD-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.52
Rot. Bonds8

About N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide

N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 60552677) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID60552677
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)20-12-11-17(3)21(13-20)22(27)24-19-14-23-25(16-19)15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,24,27)
InChIKeyWKWBQIAHPACSLD-UHFFFAOYSA-N
XLogP3.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
CID 167972284

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide (CID 60552677) is N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is WKWBQIAHPACSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)20-12-11-17(3)21(13-20)22(27)24-19-14-23-25(16-19)15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,24,27).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 426.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 60552677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).