3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide

C23H25N3O4S — CID 60598425

IUPAC3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
SMILESO=C(NCCCCn1ccccc1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H25N3O4S/c27-22-13-4-6-15-26(22)16-7-5-14-24-23(28)20-11-8-12-21(17-20)31(29,30)25-18-19-9-2-1-3-10-19/h1-4,6,8-13,15,17,25H,5,7,14,16,18H2,(H,24,28)
InChIKeyHWQTXCAGLPNFRK-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.54
Rot. Bonds10

About 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide

3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide (PubChem CID 60598425) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
PubChem CID60598425
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
SMILESO=C(NCCCCn1ccccc1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H25N3O4S/c27-22-13-4-6-15-26(22)16-7-5-14-24-23(28)20-11-8-12-21(17-20)31(29,30)25-18-19-9-2-1-3-10-19/h1-4,6,8-13,15,17,25H,5,7,14,16,18H2,(H,24,28)
InChIKeyHWQTXCAGLPNFRK-UHFFFAOYSA-N
XLogP2.54
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33139651
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
CID 134027622
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
CID 86885388
3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945519

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide (CID 60598425) is 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide is O=C(NCCCCn1ccccc1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide?
The InChIKey is HWQTXCAGLPNFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c27-22-13-4-6-15-26(22)16-7-5-14-24-23(28)20-11-8-12-21(17-20)31(29,30)25-18-19-9-2-1-3-10-19/h1-4,6,8-13,15,17,25H,5,7,14,16,18H2,(H,24,28).
What are the key properties of 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide?
3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide has a molecular weight of 439.54 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide is sourced from PubChem (CID 60598425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).