5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide

C18H22N2O3S — CID 118398571

IUPAC5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c19-24(22,23)17-12-10-16(11-13-17)14-20-18(21)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,20,21)(H2,19,22,23)
InChIKeyOQAUGQUAUCJQJO-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.36
Rot. Bonds8

About 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide

5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide (PubChem CID 118398571) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
PubChem CID118398571
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c19-24(22,23)17-12-10-16(11-13-17)14-20-18(21)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,20,21)(H2,19,22,23)
InChIKeyOQAUGQUAUCJQJO-UHFFFAOYSA-N
XLogP2.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 55852739
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
[4-[(6-phenylhexanoylamino)methyl]phenyl]boronic acid
CID 127027217
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
8-(4-sulfamoylphenyl)octanamide
CID 67422603
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The IUPAC name of 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide (CID 118398571) is 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The canonical SMILES for 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide is NS(=O)(=O)c1ccc(CNC(=O)CCCCc2ccccc2)cc1.
What is the InChIKey of 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The InChIKey is OQAUGQUAUCJQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c19-24(22,23)17-12-10-16(11-13-17)14-20-18(21)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,20,21)(H2,19,22,23).
What are the key properties of 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide has a molecular weight of 346.45 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide is sourced from PubChem (CID 118398571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).