3-[(2-thiophen-3-ylacetyl)amino]benzoic acid

C13H11NO3S — CID 28778986

IUPAC3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccsc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C13H11NO3S/c15-12(6-9-4-5-18-8-9)14-11-3-1-2-10(7-11)13(16)17/h1-5,7-8H,6H2,(H,14,15)(H,16,17)
InChIKeyNWNOHJYSKCNDDV-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.63
Rot. Bonds4

About 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid

3-[(2-thiophen-3-ylacetyl)amino]benzoic acid (PubChem CID 28778986) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
PubChem CID28778986
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccsc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C13H11NO3S/c15-12(6-9-4-5-18-8-9)14-11-3-1-2-10(7-11)13(16)17/h1-5,7-8H,6H2,(H,14,15)(H,16,17)
InChIKeyNWNOHJYSKCNDDV-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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Related Compounds

N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
CID 139604579
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
CID 60803359
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
3-amino-4-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 63117130
4-bromo-3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 107812320
3-[[3-[(2-thiophen-2-ylacetyl)amino]benzoyl]amino]benzoic acid
CID 1026629
3-[(2-chloroacetyl)amino]benzoic acid;hydrochloride
CID 67825046
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
3-[(3-amino-3-methylbutanoyl)amino]benzoic acid
CID 64677151
N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
CID 64792905
3-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 43238383
N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide
CID 34598248

Frequently Asked Questions

What is the IUPAC name of 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid?
The IUPAC name of 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid (CID 28778986) is 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid is O=C(Cc1ccsc1)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid?
The InChIKey is NWNOHJYSKCNDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-12(6-9-4-5-18-8-9)14-11-3-1-2-10(7-11)13(16)17/h1-5,7-8H,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid?
3-[(2-thiophen-3-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 3-[(2-thiophen-3-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 28778986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).