N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

C19H20N4O3S — CID 22201934

IUPACN-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-3-5-16(6-4-14)13-23-12-11-19(21-23)22-27(25,26)18-9-7-17(8-10-18)20-15(2)24/h3-12H,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyLQXPNPOUFKPAPJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 22201934) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID22201934
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-3-5-16(6-4-14)13-23-12-11-19(21-23)22-27(25,26)18-9-7-17(8-10-18)20-15(2)24/h3-12H,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyLQXPNPOUFKPAPJ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
CID 53017323
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
2,5-difluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201923
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 4560468
N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
CID 22207196

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (CID 22201934) is N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is LQXPNPOUFKPAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-3-5-16(6-4-14)13-23-12-11-19(21-23)22-27(25,26)18-9-7-17(8-10-18)20-15(2)24/h3-12H,13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22201934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).