N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide

C18H18N4O3S — CID 22315375

IUPACN-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)N(C)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H18N4O3S/c1-13(23)21(2)18-12-17(14-6-4-3-5-7-14)22(20-18)15-8-10-16(11-9-15)26(19,24)25/h3-12H,1-2H3,(H2,19,24,25)
InChIKeyJBYZVNMWJRSNEV-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide

N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide (PubChem CID 22315375) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
PubChem CID22315375
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)N(C)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H18N4O3S/c1-13(23)21(2)18-12-17(14-6-4-3-5-7-14)22(20-18)15-8-10-16(11-9-15)26(19,24)25/h3-12H,1-2H3,(H2,19,24,25)
InChIKeyJBYZVNMWJRSNEV-UHFFFAOYSA-N
XLogP2.17
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide (CID 22315375) is N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide is CC(=O)N(C)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is JBYZVNMWJRSNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13(23)21(2)18-12-17(14-6-4-3-5-7-14)22(20-18)15-8-10-16(11-9-15)26(19,24)25/h3-12H,1-2H3,(H2,19,24,25).
What are the key properties of N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 22315375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).