N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide

C19H24N2O4S — CID 109059815

IUPACN-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCOCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-15-4-6-16(7-5-15)14-21-26(23,24)18-10-8-17(9-11-18)19(22)20-12-3-13-25-2/h4-11,21H,3,12-14H2,1-2H3,(H,20,22)
InChIKeyXTTKRUWHNBHNFU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.24
Rot. Bonds9

About N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide

N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109059815) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109059815
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCOCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-15-4-6-16(7-5-15)14-21-26(23,24)18-10-8-17(9-11-18)19(22)20-12-3-13-25-2/h4-11,21H,3,12-14H2,1-2H3,(H,20,22)
InChIKeyXTTKRUWHNBHNFU-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

4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
CID 17480377
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702
N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 3342390
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 126479402
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide (CID 109059815) is N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide is COCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is XTTKRUWHNBHNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-4-6-16(7-5-15)14-21-26(23,24)18-10-8-17(9-11-18)19(22)20-12-3-13-25-2/h4-11,21H,3,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide?
N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]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 N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109059815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).