2-benzamido-5-methylthiophene-3-carboxylic acid

C13H11NO3S — CID 760003

IUPAC2-benzamido-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C13H11NO3S/c1-8-7-10(13(16)17)12(18-8)14-11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyXZHVPTXVAUKGJC-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.01
Rot. Bonds3

About 2-benzamido-5-methylthiophene-3-carboxylic acid

2-benzamido-5-methylthiophene-3-carboxylic acid (PubChem CID 760003) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-benzamido-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-benzamido-5-methylthiophene-3-carboxylic acid
PubChem CID760003
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name2-benzamido-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C13H11NO3S/c1-8-7-10(13(16)17)12(18-8)14-11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyXZHVPTXVAUKGJC-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-benzamido-5-methylthiophene-3-carboxylic acid (CID 760003) is 2-benzamido-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-benzamido-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-benzamido-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of 2-benzamido-5-methylthiophene-3-carboxylic acid?
The InChIKey is XZHVPTXVAUKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-8-7-10(13(16)17)12(18-8)14-11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-benzamido-5-methylthiophene-3-carboxylic acid?
2-benzamido-5-methylthiophene-3-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 760003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).