3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide

C25H29N3O3S — CID 37270914

IUPAC3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C25H29N3O3S/c1-28(2)23-15-13-20(14-16-23)10-7-17-26-25(29)22-11-6-12-24(18-22)32(30,31)27-19-21-8-4-3-5-9-21/h3-6,8-9,11-16,18,27H,7,10,17,19H2,1-2H3,(H,26,29)
InChIKeyRWCWFOKWUYVOKR-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.59
Rot. Bonds10

About 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide

3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide (PubChem CID 37270914) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
PubChem CID37270914
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C25H29N3O3S/c1-28(2)23-15-13-20(14-16-23)10-7-17-26-25(29)22-11-6-12-24(18-22)32(30,31)27-19-21-8-4-3-5-9-21/h3-6,8-9,11-16,18,27H,7,10,17,19H2,1-2H3,(H,26,29)
InChIKeyRWCWFOKWUYVOKR-UHFFFAOYSA-N
XLogP3.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 60598425

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide (CID 37270914) is 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide is CN(C)c1ccc(CCCNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The InChIKey is RWCWFOKWUYVOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-28(2)23-15-13-20(14-16-23)10-7-17-26-25(29)22-11-6-12-24(18-22)32(30,31)27-19-21-8-4-3-5-9-21/h3-6,8-9,11-16,18,27H,7,10,17,19H2,1-2H3,(H,26,29).
What are the key properties of 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide has a molecular weight of 451.59 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide is sourced from PubChem (CID 37270914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).