3-acetamidothiophene-2-carboxylic acid

C7H7NO3S — CID 2807579

IUPAC3-acetamidothiophene-2-carboxylic acid
SMILESCC(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyLLKLTQJOEPWBOE-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.40
Rot. Bonds2

About 3-acetamidothiophene-2-carboxylic acid

3-acetamidothiophene-2-carboxylic acid (PubChem CID 2807579) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-acetamidothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-acetamidothiophene-2-carboxylic acid
PubChem CID2807579
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name3-acetamidothiophene-2-carboxylic acid
SMILESCC(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyLLKLTQJOEPWBOE-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamidothiophene-2-carboxylic acid?
The IUPAC name of 3-acetamidothiophene-2-carboxylic acid (CID 2807579) is 3-acetamidothiophene-2-carboxylic acid.
What is the SMILES notation for 3-acetamidothiophene-2-carboxylic acid?
The canonical SMILES for 3-acetamidothiophene-2-carboxylic acid is CC(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-acetamidothiophene-2-carboxylic acid?
The InChIKey is LLKLTQJOEPWBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-acetamidothiophene-2-carboxylic acid?
3-acetamidothiophene-2-carboxylic acid has a molecular weight of 185.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidothiophene-2-carboxylic acid is sourced from PubChem (CID 2807579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).