2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide

C24H22N4O4S — CID 86766216

IUPAC2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-32-20-11-7-18(8-12-20)23-15-22(17-5-3-2-4-6-17)27-28(23)16-24(29)26-19-9-13-21(14-10-19)33(25,30)31/h2-15H,16H2,1H3,(H,26,29)(H2,25,30,31)
InChIKeyQNTMPOMWOURVRJ-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.51
Rot. Bonds7

About 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 86766216) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID86766216
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-32-20-11-7-18(8-12-20)23-15-22(17-5-3-2-4-6-17)27-28(23)16-24(29)26-19-9-13-21(14-10-19)33(25,30)31/h2-15H,16H2,1H3,(H,26,29)(H2,25,30,31)
InChIKeyQNTMPOMWOURVRJ-UHFFFAOYSA-N
XLogP3.51
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 86766216) is 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide is COc1ccc(-c2cc(-c3ccccc3)nn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is QNTMPOMWOURVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-32-20-11-7-18(8-12-20)23-15-22(17-5-3-2-4-6-17)27-28(23)16-24(29)26-19-9-13-21(14-10-19)33(25,30)31/h2-15H,16H2,1H3,(H,26,29)(H2,25,30,31).
What are the key properties of 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 462.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 86766216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).