3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

C26H26N4O3S — CID 55505346

IUPAC3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C26H26N4O3S/c1-20-12-13-23(16-25(20)34(32,33)29-18-21-8-4-2-5-9-21)26(31)27-15-14-22-17-28-30(19-22)24-10-6-3-7-11-24/h2-13,16-17,19,29H,14-15,18H2,1H3,(H,27,31)
InChIKeyQQHBETLIGRSDBM-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.63
Rot. Bonds9

About 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 55505346) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID55505346
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C26H26N4O3S/c1-20-12-13-23(16-25(20)34(32,33)29-18-21-8-4-2-5-9-21)26(31)27-15-14-22-17-28-30(19-22)24-10-6-3-7-11-24/h2-13,16-17,19,29H,14-15,18H2,1H3,(H,27,31)
InChIKeyQQHBETLIGRSDBM-UHFFFAOYSA-N
XLogP3.63
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000630
4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16606761
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505071
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 55505346) is 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is QQHBETLIGRSDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-20-12-13-23(16-25(20)34(32,33)29-18-21-8-4-2-5-9-21)26(31)27-15-14-22-17-28-30(19-22)24-10-6-3-7-11-24/h2-13,16-17,19,29H,14-15,18H2,1H3,(H,27,31).
What are the key properties of 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 474.59 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 55505346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).