5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid

C19H22N2O5S — CID 119234171

IUPAC5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C19H22N2O5S/c1-21(16-7-3-2-4-8-16)27(25,26)17-12-10-15(11-13-17)19(24)20-14-6-5-9-18(22)23/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,20,24)(H,22,23)
InChIKeyBWIQJTDYDBEPOO-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.50
Rot. Bonds9

About 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid

5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid (PubChem CID 119234171) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
PubChem CID119234171
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C19H22N2O5S/c1-21(16-7-3-2-4-8-16)27(25,26)17-12-10-15(11-13-17)19(24)20-14-6-5-9-18(22)23/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,20,24)(H,22,23)
InChIKeyBWIQJTDYDBEPOO-UHFFFAOYSA-N
XLogP2.50
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.50
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-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919272
4-[methyl(phenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46564955
4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 51164053
methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31839813
5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119234298
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid (CID 119234171) is 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1.
What is the InChIKey of 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The InChIKey is BWIQJTDYDBEPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-21(16-7-3-2-4-8-16)27(25,26)17-12-10-15(11-13-17)19(24)20-14-6-5-9-18(22)23/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119234171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).