N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide

C20H22N4O3S — CID 25487197

IUPACN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H22N4O3S/c1-23(14-17-13-22-24(15-17)18-5-3-2-4-6-18)20(25)12-9-16-7-10-19(11-8-16)28(21,26)27/h2-8,10-11,13,15H,9,12,14H2,1H3,(H2,21,26,27)
InChIKeyIGRCSSBMBRASFB-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.11
Rot. Bonds7

About N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide (PubChem CID 25487197) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
PubChem CID25487197
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H22N4O3S/c1-23(14-17-13-22-24(15-17)18-5-3-2-4-6-18)20(25)12-9-16-7-10-19(11-8-16)28(21,26)27/h2-8,10-11,13,15H,9,12,14H2,1H3,(H2,21,26,27)
InChIKeyIGRCSSBMBRASFB-UHFFFAOYSA-N
XLogP2.11
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24515240
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 24504644
N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 56532369
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 111542921
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8962000
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide (CID 25487197) is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is IGRCSSBMBRASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-23(14-17-13-22-24(15-17)18-5-3-2-4-6-18)20(25)12-9-16-7-10-19(11-8-16)28(21,26)27/h2-8,10-11,13,15H,9,12,14H2,1H3,(H2,21,26,27).
What are the key properties of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide?
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 398.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25487197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).