5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid

C13H12N2O3S — CID 63115689

IUPAC5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
SMILESNc1ccc(NC(=O)Cc2cccs2)c(C(=O)O)c1
InChIInChI=1S/C13H12N2O3S/c14-8-3-4-11(10(6-8)13(17)18)15-12(16)7-9-2-1-5-19-9/h1-6H,7,14H2,(H,15,16)(H,17,18)
InChIKeyMIHYGAHPNGJDJG-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.21
Rot. Bonds4

About 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid

5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid (PubChem CID 63115689) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
PubChem CID63115689
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
SMILESNc1ccc(NC(=O)Cc2cccs2)c(C(=O)O)c1
InChIInChI=1S/C13H12N2O3S/c14-8-3-4-11(10(6-8)13(17)18)15-12(16)7-9-2-1-5-19-9/h1-6H,7,14H2,(H,15,16)(H,17,18)
InChIKeyMIHYGAHPNGJDJG-UHFFFAOYSA-N
XLogP2.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 50782780
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 50782756
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
methyl 5-bromo-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 17415993
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 82034683
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
5-fluoro-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid
CID 43359635
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 50782145
N-(3-fluorophenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 38269111
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057985

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid (CID 63115689) is 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid is Nc1ccc(NC(=O)Cc2cccs2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The InChIKey is MIHYGAHPNGJDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-8-3-4-11(10(6-8)13(17)18)15-12(16)7-9-2-1-5-19-9/h1-6H,7,14H2,(H,15,16)(H,17,18).
What are the key properties of 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid has a molecular weight of 276.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 63115689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).