4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide

C24H26N2O3S — CID 20973707

IUPAC4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18(2)16-25-24(27)22-10-8-20(9-11-22)21-12-14-23(15-13-21)30(28,29)26-17-19-6-4-3-5-7-19/h3-15,18,26H,16-17H2,1-2H3,(H,25,27)
InChIKeyOJLAWECXEWLSLJ-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.22
Rot. Bonds8

About 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide

4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide (PubChem CID 20973707) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
PubChem CID20973707
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18(2)16-25-24(27)22-10-8-20(9-11-22)21-12-14-23(15-13-21)30(28,29)26-17-19-6-4-3-5-7-19/h3-15,18,26H,16-17H2,1-2H3,(H,25,27)
InChIKeyOJLAWECXEWLSLJ-UHFFFAOYSA-N
XLogP4.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 42650456
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-benzyl-4-(2-methylpropylamino)benzenesulfonamide
CID 735448
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 3342390
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
4-(benzylsulfamoyl)benzoate
CID 4743721

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide (CID 20973707) is 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide?
The InChIKey is OJLAWECXEWLSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18(2)16-25-24(27)22-10-8-20(9-11-22)21-12-14-23(15-13-21)30(28,29)26-17-19-6-4-3-5-7-19/h3-15,18,26H,16-17H2,1-2H3,(H,25,27).
What are the key properties of 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide?
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 20973707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).