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

C19H25N3O3S — CID 109064162

IUPACN-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
SMILESCN(C)CCCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H25N3O3S/c1-22(2)13-7-12-21-26(24,25)18-11-6-10-17(14-18)19(23)20-15-16-8-4-3-5-9-16/h3-6,8-11,14,21H,7,12-13,15H2,1-2H3,(H,20,23)
InChIKeyLRBRQCACHFBABX-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.85
Rot. Bonds9

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

N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide (PubChem CID 109064162) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
PubChem CID109064162
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
SMILESCN(C)CCCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H25N3O3S/c1-22(2)13-7-12-21-26(24,25)18-11-6-10-17(14-18)19(23)20-15-16-8-4-3-5-9-16/h3-6,8-11,14,21H,7,12-13,15H2,1-2H3,(H,20,23)
InChIKeyLRBRQCACHFBABX-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

N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide?
The IUPAC name of N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide (CID 109064162) is N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide.
What is the SMILES notation for N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide?
The canonical SMILES for N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide is CN(C)CCCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide?
The InChIKey is LRBRQCACHFBABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-22(2)13-7-12-21-26(24,25)18-11-6-10-17(14-18)19(23)20-15-16-8-4-3-5-9-16/h3-6,8-11,14,21H,7,12-13,15H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide?
N-benzyl-3-[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-3-[3-(dimethylamino)propylsulfamoyl]benzamide is sourced from PubChem (CID 109064162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).