2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid

C15H13NO5S — CID 3064738

IUPAC2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid
SMILESCc1c(CC(=O)O)sc(NC(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C15H13NO5S/c1-8-10(7-11(17)18)22-14(12(8)15(20)21)16-13(19)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyHYGZYOLPBRGOMB-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.63
Rot. Bonds5

About 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid

2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid (PubChem CID 3064738) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid
PubChem CID3064738
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid
SMILESCc1c(CC(=O)O)sc(NC(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C15H13NO5S/c1-8-10(7-11(17)18)22-14(12(8)15(20)21)16-13(19)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyHYGZYOLPBRGOMB-UHFFFAOYSA-N
XLogP2.63
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid (CID 3064738) is 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid is Cc1c(CC(=O)O)sc(NC(=O)c2ccccc2)c1C(=O)O.
What is the InChIKey of 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid?
The InChIKey is HYGZYOLPBRGOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c1-8-10(7-11(17)18)22-14(12(8)15(20)21)16-13(19)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid?
2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-5-(carboxymethyl)-4-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 3064738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).