2-(thiophene-2-carbonylamino)benzoic acid

C12H9NO3S — CID 643302

IUPAC2-(thiophene-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccs1
InChIInChI=1S/C12H9NO3S/c14-11(10-6-3-7-17-10)13-9-5-2-1-4-8(9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyOGUBBDMPILZTQG-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.70
Rot. Bonds3

About 2-(thiophene-2-carbonylamino)benzoic acid

2-(thiophene-2-carbonylamino)benzoic acid (PubChem CID 643302) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(thiophene-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(thiophene-2-carbonylamino)benzoic acid
PubChem CID643302
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name2-(thiophene-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccs1
InChIInChI=1S/C12H9NO3S/c14-11(10-6-3-7-17-10)13-9-5-2-1-4-8(9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyOGUBBDMPILZTQG-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-acetylanthranilic acid
CID 6971
2-(Benzoylamino)benzoic acid
CID 68482
4-(Thiophene-2-amido)benzoic acid
CID 746807
4-[(Thiophen-2-ylmethyl)-amino]-benzoic acid
CID 744861
4-phenyl-2-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-3-carboxylic acid
CID 1177253
3-[(4-phenylphenyl)carbamoyl]thiophene-2-carboxylic Acid
CID 9861992
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
2-Benzamido-5-phenylthiophene-3-carboxylic acid
CID 709215
2-[(2,2-Dimethylpropanoyl)amino]-5-phenylthiophene-3-carboxylic acid
CID 762466
(Z)-3-(3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
CID 1584557
2-(4-Fluoro-benzoylamino)-4-phenyl-thiophene-3-carboxylic acid
CID 829695
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571

Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonylamino)benzoic acid?
The IUPAC name of 2-(thiophene-2-carbonylamino)benzoic acid (CID 643302) is 2-(thiophene-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(thiophene-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-(thiophene-2-carbonylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cccs1.
What is the InChIKey of 2-(thiophene-2-carbonylamino)benzoic acid?
The InChIKey is OGUBBDMPILZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-11(10-6-3-7-17-10)13-9-5-2-1-4-8(9)12(15)16/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 2-(thiophene-2-carbonylamino)benzoic acid?
2-(thiophene-2-carbonylamino)benzoic acid has a molecular weight of 247.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonylamino)benzoic acid is sourced from PubChem (CID 643302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).