5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid

C17H18N2O5S — CID 2812817

IUPAC5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O5S/c18-25(23,24)15-8-6-14(7-9-15)19-16(20)10-13(11-17(21)22)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,19,20)(H,21,22)(H2,18,23,24)
InChIKeyLBDKPGOMIVLKLD-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.92
Rot. Bonds7

About 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid

5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid (PubChem CID 2812817) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid
PubChem CID2812817
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O5S/c18-25(23,24)15-8-6-14(7-9-15)19-16(20)10-13(11-17(21)22)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,19,20)(H,21,22)(H2,18,23,24)
InChIKeyLBDKPGOMIVLKLD-UHFFFAOYSA-N
XLogP1.92
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Sulfamoyl-phenylcarbamoyl)-butyric acid
CID 733060
1-((4-Acetamidophenyl)sulfonamido)cyclohexane-1-carboxylic acid
CID 788631
3-({4-[(Acetylamino)sulfonyl]anilino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3679306
(2S)-5-anilino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
CID 59910477
3-((4-Sulfamoylphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3133135
3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 673507
2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 649251
2-{[4-(Piperidin-1-ylsulfonyl)anilino]carbonyl}cyclohexanecarboxylic acid
CID 1079847
2-({4-[(4-Methylpiperidin-1-yl)sulfonyl]anilino}carbonyl)cyclohexanecarboxylic acid
CID 1079853
2-((4-(n-(3,5-Dimethylphenyl)sulfamoyl)phenyl)carbamoyl)cyclohexane-1-carboxylic acid
CID 3605725
2-Ethyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid
CID 4615453
2-[4-(2-methylpropyl)phenyl]-N-(4-sulfamoylphenyl)propanamide
CID 14498136

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid?
The IUPAC name of 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid (CID 2812817) is 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid.
What is the SMILES notation for 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid?
The canonical SMILES for 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid is NS(=O)(=O)c1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid?
The InChIKey is LBDKPGOMIVLKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c18-25(23,24)15-8-6-14(7-9-15)19-16(20)10-13(11-17(21)22)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,19,20)(H,21,22)(H2,18,23,24).
What are the key properties of 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid?
5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid has a molecular weight of 362.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-5-(4-sulfamoylanilino)pentanoic acid is sourced from PubChem (CID 2812817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).