5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid

C19H22N2O5S — CID 119234754

IUPAC5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-6-2-3-7-17(14)21-27(25,26)16-11-9-15(10-12-16)19(24)20-13-5-4-8-18(22)23/h2-3,6-7,9-12,21H,4-5,8,13H2,1H3,(H,20,24)(H,22,23)
InChIKeyWVJJRFYGHBPJGG-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.78
Rot. Bonds9

About 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid

5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid (PubChem CID 119234754) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
PubChem CID119234754
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-6-2-3-7-17(14)21-27(25,26)16-11-9-15(10-12-16)19(24)20-13-5-4-8-18(22)23/h2-3,6-7,9-12,21H,4-5,8,13H2,1H3,(H,20,24)(H,22,23)
InChIKeyWVJJRFYGHBPJGG-UHFFFAOYSA-N
XLogP2.78
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119234298
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-[2-(furan-2-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26795706
6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 56515640
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid (CID 119234754) is 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1.
What is the InChIKey of 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The InChIKey is WVJJRFYGHBPJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-6-2-3-7-17(14)21-27(25,26)16-11-9-15(10-12-16)19(24)20-13-5-4-8-18(22)23/h2-3,6-7,9-12,21H,4-5,8,13H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119234754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).