N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide

C23H28N4O3S — CID 43052464

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(C)nn2Cc2ccccc2)c1
InChIInChI=1S/C23H28N4O3S/c1-5-26(6-2)31(29,30)20-13-12-17(3)21(15-20)23(28)24-22-14-18(4)25-27(22)16-19-10-8-7-9-11-19/h7-15H,5-6,16H2,1-4H3,(H,24,28)
InChIKeyPKEKBHHSVVCKOQ-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.83
Rot. Bonds8

About N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide

N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 43052464) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID43052464
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(C)nn2Cc2ccccc2)c1
InChIInChI=1S/C23H28N4O3S/c1-5-26(6-2)31(29,30)20-13-12-17(3)21(15-20)23(28)24-22-14-18(4)25-27(22)16-19-10-8-7-9-11-19/h7-15H,5-6,16H2,1-4H3,(H,24,28)
InChIKeyPKEKBHHSVVCKOQ-UHFFFAOYSA-N
XLogP3.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 55768958
N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
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N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
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N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide
CID 60571336
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 25284324
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
N-(2-benzyl-5-methylpyrazol-3-yl)-5-chloro-2-iodobenzamide
CID 60553051
N-(2-benzyl-5-methylpyrazol-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 52762664
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55551193
N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 78778551
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 43052469

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide (CID 43052464) is N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(C)nn2Cc2ccccc2)c1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is PKEKBHHSVVCKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-5-26(6-2)31(29,30)20-13-12-17(3)21(15-20)23(28)24-22-14-18(4)25-27(22)16-19-10-8-7-9-11-19/h7-15H,5-6,16H2,1-4H3,(H,24,28).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 440.57 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 43052464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).