5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid

C13H10INO3S — CID 16771598

IUPAC5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccccc2I)sc1C(=O)O
InChIInChI=1S/C13H10INO3S/c1-7-6-10(19-11(7)13(17)18)15-12(16)8-4-2-3-5-9(8)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyGTWWWZCTYNKQOO-UHFFFAOYSA-N
MW387.20 g/mol
LogP3.61
Rot. Bonds3

About 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 16771598) has the molecular formula C13H10INO3S and a molecular weight of 387.20 g/mol. Its IUPAC name is 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID16771598
Molecular FormulaC13H10INO3S
Molecular Weight387.20 g/mol
Exact Mass386.94
IUPAC Name5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccccc2I)sc1C(=O)O
InChIInChI=1S/C13H10INO3S/c1-7-6-10(19-11(7)13(17)18)15-12(16)8-4-2-3-5-9(8)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyGTWWWZCTYNKQOO-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 16771598) is 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2ccccc2I)sc1C(=O)O.
What is the InChIKey of 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is GTWWWZCTYNKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO3S/c1-7-6-10(19-11(7)13(17)18)15-12(16)8-4-2-3-5-9(8)14/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 387.20 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16771598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).