N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide

C19H25N3O3S — CID 109060284

IUPACN-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-22(2)14-6-13-21-26(24,25)18-11-9-17(10-12-18)19(23)20-15-16-7-4-3-5-8-16/h3-5,7-12,21H,6,13-15H2,1-2H3,(H,20,23)
InChIKeyQEUHXRHNSJJGDC-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.85
Rot. Bonds9

About N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide

N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide (PubChem CID 109060284) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
PubChem CID109060284
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-22(2)14-6-13-21-26(24,25)18-11-9-17(10-12-18)19(23)20-15-16-7-4-3-5-8-16/h3-5,7-12,21H,6,13-15H2,1-2H3,(H,20,23)
InChIKeyQEUHXRHNSJJGDC-UHFFFAOYSA-N
XLogP1.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
4-[3-(dimethylamino)propylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060283
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
CID 51249681
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
CID 109060317
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide?
The IUPAC name of N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide (CID 109060284) is N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide.
What is the SMILES notation for N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide?
The canonical SMILES for N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide is CN(C)CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide?
The InChIKey is QEUHXRHNSJJGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-22(2)14-6-13-21-26(24,25)18-11-9-17(10-12-18)19(23)20-15-16-7-4-3-5-8-16/h3-5,7-12,21H,6,13-15H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide?
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide is sourced from PubChem (CID 109060284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).