2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide

C24H26N2O4S — CID 2271284

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-30-18-10-17-25-24(27)22-15-8-9-16-23(22)26(19-20-11-4-2-5-12-20)31(28,29)21-13-6-3-7-14-21/h2-9,11-16H,10,17-19H2,1H3,(H,25,27)
InChIKeyUMDIJBZBWFMTIR-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.85
Rot. Bonds10

About 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide

2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide (PubChem CID 2271284) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
PubChem CID2271284
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-30-18-10-17-25-24(27)22-15-8-9-16-23(22)26(19-20-11-4-2-5-12-20)31(28,29)21-13-6-3-7-14-21/h2-9,11-16H,10,17-19H2,1H3,(H,25,27)
InChIKeyUMDIJBZBWFMTIR-UHFFFAOYSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 2194165
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-phenylpropyl)benzamide
CID 133185362
2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
CID 21372596
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
CID 1097903
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
CID 124544509
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 43907685
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzamide
CID 126307592
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide (CID 2271284) is 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is UMDIJBZBWFMTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-30-18-10-17-25-24(27)22-15-8-9-16-23(22)26(19-20-11-4-2-5-12-20)31(28,29)21-13-6-3-7-14-21/h2-9,11-16H,10,17-19H2,1H3,(H,25,27).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 2271284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).