2-benzamidothiophene-3-carboxylic acid

C12H9NO3S — CID 16639461

IUPAC2-benzamidothiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1ccccc1
InChIInChI=1S/C12H9NO3S/c14-10(8-4-2-1-3-5-8)13-11-9(12(15)16)6-7-17-11/h1-7H,(H,13,14)(H,15,16)
InChIKeyPEIXTPMCYLXEAQ-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.70
Rot. Bonds3

About 2-benzamidothiophene-3-carboxylic acid

2-benzamidothiophene-3-carboxylic acid (PubChem CID 16639461) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-benzamidothiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-benzamidothiophene-3-carboxylic acid
PubChem CID16639461
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name2-benzamidothiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1ccccc1
InChIInChI=1S/C12H9NO3S/c14-10(8-4-2-1-3-5-8)13-11-9(12(15)16)6-7-17-11/h1-7H,(H,13,14)(H,15,16)
InChIKeyPEIXTPMCYLXEAQ-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

2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
CID 60858679
2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171537
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921362
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 28973919
N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide
CID 18331726
2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 114040056
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 29272831
2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43664804
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577

Frequently Asked Questions

What is the IUPAC name of 2-benzamidothiophene-3-carboxylic acid?
The IUPAC name of 2-benzamidothiophene-3-carboxylic acid (CID 16639461) is 2-benzamidothiophene-3-carboxylic acid.
What is the SMILES notation for 2-benzamidothiophene-3-carboxylic acid?
The canonical SMILES for 2-benzamidothiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamidothiophene-3-carboxylic acid?
The InChIKey is PEIXTPMCYLXEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-10(8-4-2-1-3-5-8)13-11-9(12(15)16)6-7-17-11/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 2-benzamidothiophene-3-carboxylic acid?
2-benzamidothiophene-3-carboxylic 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-benzamidothiophene-3-carboxylic acid is sourced from PubChem (CID 16639461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).