3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide

C24H25N3O5S — CID 3331259

IUPAC3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-32-16-6-15-25-33(30,31)22-13-11-20(12-14-22)26-24(29)19-9-5-10-21(17-19)27-23(28)18-7-3-2-4-8-18/h2-5,7-14,17,25H,6,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyYWMMQZFMOKUIPK-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.51
Rot. Bonds10

About 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide

3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide (PubChem CID 3331259) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
PubChem CID3331259
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-32-16-6-15-25-33(30,31)22-13-11-20(12-14-22)26-24(29)19-9-5-10-21(17-19)27-23(28)18-7-3-2-4-8-18/h2-5,7-14,17,25H,6,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyYWMMQZFMOKUIPK-UHFFFAOYSA-N
XLogP3.51
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592
2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109059915
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide (CID 3331259) is 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide is COCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide?
The InChIKey is YWMMQZFMOKUIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-32-16-6-15-25-33(30,31)22-13-11-20(12-14-22)26-24(29)19-9-5-10-21(17-19)27-23(28)18-7-3-2-4-8-18/h2-5,7-14,17,25H,6,15-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide?
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide has a molecular weight of 467.55 g/mol, XLogP of 3.51, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 3331259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).