2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

C20H22N4O3S — CID 55504805

IUPAC2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C20H22N4O3S/c1-15-8-9-18(28(26,27)21-2)12-19(15)20(25)22-11-10-16-13-23-24(14-16)17-6-4-3-5-7-17/h3-9,12-14,21H,10-11H2,1-2H3,(H,22,25)
InChIKeyYOPPLSQYRIBADX-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.06
Rot. Bonds7

About 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 55504805) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID55504805
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C20H22N4O3S/c1-15-8-9-18(28(26,27)21-2)12-19(15)20(25)22-11-10-16-13-23-24(14-16)17-6-4-3-5-7-17/h3-9,12-14,21H,10-11H2,1-2H3,(H,22,25)
InChIKeyYOPPLSQYRIBADX-UHFFFAOYSA-N
XLogP2.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55505479
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000630
2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000628
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000560
4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16606761
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505346
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24646854
5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813430
2-chloro-4-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16613767

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 55504805) is 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is YOPPLSQYRIBADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15-8-9-18(28(26,27)21-2)12-19(15)20(25)22-11-10-16-13-23-24(14-16)17-6-4-3-5-7-17/h3-9,12-14,21H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 55504805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).