3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid

C13H10INO4S — CID 107731465

IUPAC3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C13H10INO4S/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-4-7(14)2-3-9(8)16/h2-5,16H,1H3,(H,15,17)(H,18,19)
InChIKeyLNZICDOVEPWTMH-UHFFFAOYSA-N
MW403.20 g/mol
LogP3.32
Rot. Bonds3

About 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid

3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 107731465) has the molecular formula C13H10INO4S and a molecular weight of 403.20 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
PubChem CID107731465
Molecular FormulaC13H10INO4S
Molecular Weight403.20 g/mol
Exact Mass402.94
IUPAC Name3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C13H10INO4S/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-4-7(14)2-3-9(8)16/h2-5,16H,1H3,(H,15,17)(H,18,19)
InChIKeyLNZICDOVEPWTMH-UHFFFAOYSA-N
XLogP3.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.20
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914998
N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731650
N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731116
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915817
3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914774
3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
3-[(3-bromo-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914888
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 114915122
3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914930

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid (CID 107731465) is 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)c1cc(I)ccc1O.
What is the InChIKey of 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is LNZICDOVEPWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO4S/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-4-7(14)2-3-9(8)16/h2-5,16H,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 403.20 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 107731465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).