3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide

C25H28N2O3S — CID 46385991

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C25H28N2O3S/c1-3-4-17-27(2)25(28)23-12-8-11-22(18-23)21-13-15-24(16-14-21)31(29,30)26-19-20-9-6-5-7-10-20/h5-16,18,26H,3-4,17,19H2,1-2H3
InChIKeyNWUWVSDBGWRMQX-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.70
Rot. Bonds9

About 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide

3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide (PubChem CID 46385991) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide
PubChem CID46385991
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C25H28N2O3S/c1-3-4-17-27(2)25(28)23-12-8-11-22(18-23)21-13-15-24(16-14-21)31(29,30)26-19-20-9-6-5-7-10-20/h5-16,18,26H,3-4,17,19H2,1-2H3
InChIKeyNWUWVSDBGWRMQX-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
CID 109064691
methyl 3-[[(4-phenylphenyl)sulfonylamino]methyl]benzoate
CID 68822710
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 110454141
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide
CID 68826106
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide (CID 46385991) is 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide?
The InChIKey is NWUWVSDBGWRMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-3-4-17-27(2)25(28)23-12-8-11-22(18-23)21-13-15-24(16-14-21)31(29,30)26-19-20-9-6-5-7-10-20/h5-16,18,26H,3-4,17,19H2,1-2H3.
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide?
3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide has a molecular weight of 436.58 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide is sourced from PubChem (CID 46385991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).