4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide

C20H26N2O4S — CID 109060818

IUPAC4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-7-14-21-20(23)16-10-12-18(13-11-16)27(24,25)22-15-17-8-5-6-9-19(17)26-2/h5-6,8-13,22H,3-4,7,14-15H2,1-2H3,(H,21,23)
InChIKeyOVVSAUCLZSGRSP-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.09
Rot. Bonds10

About 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide

4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide (PubChem CID 109060818) has the molecular formula C20H26N2O4S and a molecular weight of 390.50 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
PubChem CID109060818
Molecular FormulaC20H26N2O4S
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC Name4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-7-14-21-20(23)16-10-12-18(13-11-16)27(24,25)22-15-17-8-5-6-9-19(17)26-2/h5-6,8-13,22H,3-4,7,14-15H2,1-2H3,(H,21,23)
InChIKeyOVVSAUCLZSGRSP-UHFFFAOYSA-N
XLogP3.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.09
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

N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775887
N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
CID 109061034
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
4-[2-(2-methoxyphenyl)ethylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058831
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide?
The IUPAC name of 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide (CID 109060818) is 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide is CCCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide?
The InChIKey is OVVSAUCLZSGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-4-7-14-21-20(23)16-10-12-18(13-11-16)27(24,25)22-15-17-8-5-6-9-19(17)26-2/h5-6,8-13,22H,3-4,7,14-15H2,1-2H3,(H,21,23).
What are the key properties of 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide?
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide has a molecular weight of 390.50 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide is sourced from PubChem (CID 109060818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).