N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide

C19H20N4O3S — CID 1091854

IUPACN-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-19(14(2)23(21-13)17-7-5-4-6-8-17)22-27(25,26)18-11-9-16(10-12-18)20-15(3)24/h4-12,22H,1-3H3,(H,20,24)
InChIKeyARKKDNWYJTWCHW-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.25
Rot. Bonds5

About N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide

N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1091854) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID1091854
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-19(14(2)23(21-13)17-7-5-4-6-8-17)22-27(25,26)18-11-9-16(10-12-18)20-15(3)24/h4-12,22H,1-3H3,(H,20,24)
InChIKeyARKKDNWYJTWCHW-UHFFFAOYSA-N
XLogP3.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide (CID 1091854) is N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ARKKDNWYJTWCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-19(14(2)23(21-13)17-7-5-4-6-8-17)22-27(25,26)18-11-9-16(10-12-18)20-15(3)24/h4-12,22H,1-3H3,(H,20,24).
What are the key properties of N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1091854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).