4-[(2-thiophen-2-ylacetyl)amino]benzoic acid

C13H11NO3S — CID 649392

IUPAC4-[(2-thiophen-2-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1cccs1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H11NO3S/c15-12(8-11-2-1-7-18-11)14-10-5-3-9(4-6-10)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKeyFEUPGOFYXFJWIT-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.63
Rot. Bonds4

About 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid

4-[(2-thiophen-2-ylacetyl)amino]benzoic acid (PubChem CID 649392) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-thiophen-2-ylacetyl)amino]benzoic acid
PubChem CID649392
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name4-[(2-thiophen-2-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1cccs1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H11NO3S/c15-12(8-11-2-1-7-18-11)14-10-5-3-9(4-6-10)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKeyFEUPGOFYXFJWIT-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid (CID 649392) is 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid is O=C(Cc1cccs1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The InChIKey is FEUPGOFYXFJWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-12(8-11-2-1-7-18-11)14-10-5-3-9(4-6-10)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
4-[(2-thiophen-2-ylacetyl)amino]benzoic acid has a molecular weight of 261.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-thiophen-2-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 649392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).