2-(1-benzothiophen-3-ylamino)benzoic acid

C15H11NO2S — CID 125468623

IUPAC2-(1-benzothiophen-3-ylamino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1csc2ccccc12
InChIInChI=1S/C15H11NO2S/c17-15(18)11-6-1-3-7-12(11)16-13-9-19-14-8-4-2-5-10(13)14/h1-9,16H,(H,17,18)
InChIKeyRKHKYXRKWJBYHR-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.34
Rot. Bonds3

About 2-(1-benzothiophen-3-ylamino)benzoic acid

2-(1-benzothiophen-3-ylamino)benzoic acid (PubChem CID 125468623) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylamino)benzoic acid.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylamino)benzoic acid
PubChem CID125468623
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name2-(1-benzothiophen-3-ylamino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1csc2ccccc12
InChIInChI=1S/C15H11NO2S/c17-15(18)11-6-1-3-7-12(11)16-13-9-19-14-8-4-2-5-10(13)14/h1-9,16H,(H,17,18)
InChIKeyRKHKYXRKWJBYHR-UHFFFAOYSA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1-benzothiophen-3-amine
CID 45270419
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
2-(2-formylanilino)benzoic acid
CID 54432432
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419
3-(1-benzothiophen-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163961
4-[1-(1-benzothiophen-3-yl)ethenylamino]-2-(4-fluoroanilino)benzoic acid
CID 89323357
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
CID 60704804

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylamino)benzoic acid?
The IUPAC name of 2-(1-benzothiophen-3-ylamino)benzoic acid (CID 125468623) is 2-(1-benzothiophen-3-ylamino)benzoic acid.
What is the SMILES notation for 2-(1-benzothiophen-3-ylamino)benzoic acid?
The canonical SMILES for 2-(1-benzothiophen-3-ylamino)benzoic acid is O=C(O)c1ccccc1Nc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylamino)benzoic acid?
The InChIKey is RKHKYXRKWJBYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-15(18)11-6-1-3-7-12(11)16-13-9-19-14-8-4-2-5-10(13)14/h1-9,16H,(H,17,18).
What are the key properties of 2-(1-benzothiophen-3-ylamino)benzoic acid?
2-(1-benzothiophen-3-ylamino)benzoic acid has a molecular weight of 269.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylamino)benzoic acid is sourced from PubChem (CID 125468623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).