4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

C25H24N4O3S — CID 16606761

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H24N4O3S/c1-19-7-5-6-10-24(19)28-33(31,32)23-13-11-21(12-14-23)25(30)26-16-15-20-17-27-29(18-20)22-8-3-2-4-9-22/h2-14,17-18,28H,15-16H2,1H3,(H,26,30)
InChIKeyMTRYBCTZQSJZBR-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.95
Rot. Bonds8

About 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 16606761) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID16606761
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H24N4O3S/c1-19-7-5-6-10-24(19)28-33(31,32)23-13-11-21(12-14-23)25(30)26-16-15-20-17-27-29(18-20)22-8-3-2-4-9-22/h2-14,17-18,28H,15-16H2,1H3,(H,26,30)
InChIKeyMTRYBCTZQSJZBR-UHFFFAOYSA-N
XLogP3.95
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000630
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505346
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
N-[2-(furan-2-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26795706
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
2-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55505479

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 16606761) is 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is MTRYBCTZQSJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-19-7-5-6-10-24(19)28-33(31,32)23-13-11-21(12-14-23)25(30)26-16-15-20-17-27-29(18-20)22-8-3-2-4-9-22/h2-14,17-18,28H,15-16H2,1H3,(H,26,30).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 16606761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).