N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide

C20H22N4O3S — CID 60571336

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H22N4O3S/c1-14-9-10-17(12-18(14)23-28(3,26)27)20(25)21-19-11-15(2)22-24(19)13-16-7-5-4-6-8-16/h4-12,23H,13H2,1-3H3,(H,21,25)
InChIKeyDAIIYNVEDWJBSP-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.17
Rot. Bonds6

About N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide

N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 60571336) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID60571336
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H22N4O3S/c1-14-9-10-17(12-18(14)23-28(3,26)27)20(25)21-19-11-15(2)22-24(19)13-16-7-5-4-6-8-16/h4-12,23H,13H2,1-3H3,(H,21,25)
InChIKeyDAIIYNVEDWJBSP-UHFFFAOYSA-N
XLogP3.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 60571257
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55551193
N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 43052469
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
N-(2-benzyl-5-methylpyrazol-3-yl)-4-ethoxy-3-nitrobenzamide
CID 51112941
N-(2-benzyl-5-methylpyrazol-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 52762664
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 60571067
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
2-benzyl-3-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119233760

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide (CID 60571336) is N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide is Cc1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is DAIIYNVEDWJBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-9-10-17(12-18(14)23-28(3,26)27)20(25)21-19-11-15(2)22-24(19)13-16-7-5-4-6-8-16/h4-12,23H,13H2,1-3H3,(H,21,25).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 398.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 60571336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).