5-acetamidothiophene-2,4-dicarboxylic acid

C8H7NO5S — CID 90738459

IUPAC5-acetamidothiophene-2,4-dicarboxylic acid
SMILESCC(=O)Nc1sc(C(=O)O)cc1C(=O)O
InChIInChI=1S/C8H7NO5S/c1-3(10)9-6-4(7(11)12)2-5(15-6)8(13)14/h2H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyANFYNXGAWIBDAL-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.10
Rot. Bonds3

About 5-acetamidothiophene-2,4-dicarboxylic acid

5-acetamidothiophene-2,4-dicarboxylic acid (PubChem CID 90738459) has the molecular formula C8H7NO5S and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-acetamidothiophene-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-acetamidothiophene-2,4-dicarboxylic acid
PubChem CID90738459
Molecular FormulaC8H7NO5S
Molecular Weight229.21 g/mol
Exact Mass229.00
IUPAC Name5-acetamidothiophene-2,4-dicarboxylic acid
SMILESCC(=O)Nc1sc(C(=O)O)cc1C(=O)O
InChIInChI=1S/C8H7NO5S/c1-3(10)9-6-4(7(11)12)2-5(15-6)8(13)14/h2H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyANFYNXGAWIBDAL-UHFFFAOYSA-N
XLogP1.10
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamidothiophene-2,4-dicarboxylic acid?
The IUPAC name of 5-acetamidothiophene-2,4-dicarboxylic acid (CID 90738459) is 5-acetamidothiophene-2,4-dicarboxylic acid.
What is the SMILES notation for 5-acetamidothiophene-2,4-dicarboxylic acid?
The canonical SMILES for 5-acetamidothiophene-2,4-dicarboxylic acid is CC(=O)Nc1sc(C(=O)O)cc1C(=O)O.
What is the InChIKey of 5-acetamidothiophene-2,4-dicarboxylic acid?
The InChIKey is ANFYNXGAWIBDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5S/c1-3(10)9-6-4(7(11)12)2-5(15-6)8(13)14/h2H,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 5-acetamidothiophene-2,4-dicarboxylic acid?
5-acetamidothiophene-2,4-dicarboxylic acid has a molecular weight of 229.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamidothiophene-2,4-dicarboxylic acid is sourced from PubChem (CID 90738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).