N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

C26H26N4O4S — CID 2493193

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H26N4O4S/c1-4-29(21-11-7-5-8-12-21)35(33,34)23-17-15-20(16-18-23)25(31)27-24-19(2)28(3)30(26(24)32)22-13-9-6-10-14-22/h5-18H,4H2,1-3H3,(H,27,31)
InChIKeyIABMCKQDLPAJGE-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.95
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 2493193) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID2493193
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H26N4O4S/c1-4-29(21-11-7-5-8-12-21)35(33,34)23-17-15-20(16-18-23)25(31)27-24-19(2)28(3)30(26(24)32)22-13-9-6-10-14-22/h5-18H,4H2,1-3H3,(H,27,31)
InChIKeyIABMCKQDLPAJGE-UHFFFAOYSA-N
XLogP3.95
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 2493193) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is IABMCKQDLPAJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-4-29(21-11-7-5-8-12-21)35(33,34)23-17-15-20(16-18-23)25(31)27-24-19(2)28(3)30(26(24)32)22-13-9-6-10-14-22/h5-18H,4H2,1-3H3,(H,27,31).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 490.59 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2493193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).