2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide

C20H22N4O3S — CID 38359488

IUPAC2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H22N4O3S/c1-2-12-22-28(26,27)19-10-8-17(9-11-19)23-20(25)13-16-14-21-24(15-16)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13H2,1H3,(H,23,25)
InChIKeyWNQUXNDTGJQZAA-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.74
Rot. Bonds8

About 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide

2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide (PubChem CID 38359488) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
PubChem CID38359488
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H22N4O3S/c1-2-12-22-28(26,27)19-10-8-17(9-11-19)23-20(25)13-16-14-21-24(15-16)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13H2,1H3,(H,23,25)
InChIKeyWNQUXNDTGJQZAA-UHFFFAOYSA-N
XLogP2.74
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46535527
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120716213
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580
2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38351202
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
ethyl 5-methyl-1-[4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]pyrazole-4-carboxylate
CID 43072027

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide (CID 38359488) is 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide is CCCNS(=O)(=O)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide?
The InChIKey is WNQUXNDTGJQZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-2-12-22-28(26,27)19-10-8-17(9-11-19)23-20(25)13-16-14-21-24(15-16)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13H2,1H3,(H,23,25).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide?
2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 38359488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).