2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid

C15H13NO5S — CID 108807708

IUPAC2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C15H13NO5S/c17-11(13-2-1-7-22-13)5-6-14(19)16-9-3-4-10(15(20)21)12(18)8-9/h1-4,7-8,18H,5-6H2,(H,16,19)(H,20,21)
InChIKeyCCRGYQPNLLBLGI-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.75
Rot. Bonds6

About 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid

2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid (PubChem CID 108807708) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
PubChem CID108807708
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C15H13NO5S/c17-11(13-2-1-7-22-13)5-6-14(19)16-9-3-4-10(15(20)21)12(18)8-9/h1-4,7-8,18H,5-6H2,(H,16,19)(H,20,21)
InChIKeyCCRGYQPNLLBLGI-UHFFFAOYSA-N
XLogP2.75
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic 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

N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
2-hydroxy-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzoic acid
CID 43358292
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26712354
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
CID 17470169
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46699704

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid (CID 108807708) is 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid is O=C(CCC(=O)c1cccs1)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid?
The InChIKey is CCRGYQPNLLBLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c17-11(13-2-1-7-22-13)5-6-14(19)16-9-3-4-10(15(20)21)12(18)8-9/h1-4,7-8,18H,5-6H2,(H,16,19)(H,20,21).
What are the key properties of 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid?
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid has a molecular weight of 319.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid is sourced from PubChem (CID 108807708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).