N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C19H20N4O3S — CID 36677114

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)Cc2cnn(-c3ccccc3)c2)ccc1C
InChIInChI=1S/C19H20N4O3S/c1-14-8-9-16(11-18(14)27(25,26)20-2)22-19(24)10-15-12-21-23(13-15)17-6-4-3-5-7-17/h3-9,11-13,20H,10H2,1-2H3,(H,22,24)
InChIKeyZQWUQKYDBWQUMJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.27
Rot. Bonds6

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 36677114) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID36677114
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)Cc2cnn(-c3ccccc3)c2)ccc1C
InChIInChI=1S/C19H20N4O3S/c1-14-8-9-16(11-18(14)27(25,26)20-2)22-19(24)10-15-12-21-23(13-15)17-6-4-3-5-7-17/h3-9,11-13,20H,10H2,1-2H3,(H,22,24)
InChIKeyZQWUQKYDBWQUMJ-UHFFFAOYSA-N
XLogP2.27
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24646854
2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38359488
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
2-(3,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107151
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152085

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 36677114) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is CNS(=O)(=O)c1cc(NC(=O)Cc2cnn(-c3ccccc3)c2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is ZQWUQKYDBWQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-8-9-16(11-18(14)27(25,26)20-2)22-19(24)10-15-12-21-23(13-15)17-6-4-3-5-7-17/h3-9,11-13,20H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 36677114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).