2-acetamido-4-methylthiophene-3-carboxylic acid

C8H9NO3S — CID 2818217

IUPAC2-acetamido-4-methylthiophene-3-carboxylic acid
SMILESCC(=O)Nc1scc(C)c1C(=O)O
InChIInChI=1S/C8H9NO3S/c1-4-3-13-7(9-5(2)10)6(4)8(11)12/h3H,1-2H3,(H,9,10)(H,11,12)
InChIKeyYWCFEQPZXHQSSS-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.71
Rot. Bonds2

About 2-acetamido-4-methylthiophene-3-carboxylic acid

2-acetamido-4-methylthiophene-3-carboxylic acid (PubChem CID 2818217) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-acetamido-4-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-4-methylthiophene-3-carboxylic acid
PubChem CID2818217
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-acetamido-4-methylthiophene-3-carboxylic acid
SMILESCC(=O)Nc1scc(C)c1C(=O)O
InChIInChI=1S/C8H9NO3S/c1-4-3-13-7(9-5(2)10)6(4)8(11)12/h3H,1-2H3,(H,9,10)(H,11,12)
InChIKeyYWCFEQPZXHQSSS-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-acetamido-4-methylthiophene-3-carboxylic acid (CID 2818217) is 2-acetamido-4-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-acetamido-4-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-acetamido-4-methylthiophene-3-carboxylic acid is CC(=O)Nc1scc(C)c1C(=O)O.
What is the InChIKey of 2-acetamido-4-methylthiophene-3-carboxylic acid?
The InChIKey is YWCFEQPZXHQSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-4-3-13-7(9-5(2)10)6(4)8(11)12/h3H,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-acetamido-4-methylthiophene-3-carboxylic acid?
2-acetamido-4-methylthiophene-3-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 2818217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).