3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide

C19H24N2O4S — CID 109063719

IUPAC3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H24N2O4S/c1-15-7-3-4-8-17(15)14-20-19(22)16-9-5-10-18(13-16)26(23,24)21-11-6-12-25-2/h3-5,7-10,13,21H,6,11-12,14H2,1-2H3,(H,20,22)
InChIKeyCAMQFPJHWICULU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.24
Rot. Bonds9

About 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide

3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 109063719) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
PubChem CID109063719
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H24N2O4S/c1-15-7-3-4-8-17(15)14-20-19(22)16-9-5-10-18(13-16)26(23,24)21-11-6-12-25-2/h3-5,7-10,13,21H,6,11-12,14H2,1-2H3,(H,20,22)
InChIKeyCAMQFPJHWICULU-UHFFFAOYSA-N
XLogP2.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.24
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

3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide (CID 109063719) is 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide is COCCCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is CAMQFPJHWICULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-7-3-4-8-17(15)14-20-19(22)16-9-5-10-18(13-16)26(23,24)21-11-6-12-25-2/h3-5,7-10,13,21H,6,11-12,14H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 109063719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).