5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid

C19H22N2O5S — CID 119235246

IUPAC5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCCC(=O)O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-8-10-16(11-9-14)21-27(25,26)17-6-4-5-15(13-17)19(24)20-12-3-2-7-18(22)23/h4-6,8-11,13,21H,2-3,7,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyXPOHBZAKEXLAMP-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.78
Rot. Bonds9

About 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid

5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid (PubChem CID 119235246) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
PubChem CID119235246
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCCC(=O)O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-8-10-16(11-9-14)21-27(25,26)17-6-4-5-15(13-17)19(24)20-12-3-2-7-18(22)23/h4-6,8-11,13,21H,2-3,7,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyXPOHBZAKEXLAMP-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'}

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Related Compounds

5-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 62033959
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid (CID 119235246) is 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCCC(=O)O)c2)cc1.
What is the InChIKey of 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
The InChIKey is XPOHBZAKEXLAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-8-10-16(11-9-14)21-27(25,26)17-6-4-5-15(13-17)19(24)20-12-3-2-7-18(22)23/h4-6,8-11,13,21H,2-3,7,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid?
5-[[3-[(4-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-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119235246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).