2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide

C12H10INO2S — CID 113222923

IUPAC2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCc1ccsc1)c1cc(I)ccc1O
InChIInChI=1S/C12H10INO2S/c13-9-1-2-11(15)10(5-9)12(16)14-6-8-3-4-17-7-8/h1-5,7,15H,6H2,(H,14,16)
InChIKeyIYVQZEWBCGMTBF-UHFFFAOYSA-N
MW359.19 g/mol
LogP2.99
Rot. Bonds3

About 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide

2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 113222923) has the molecular formula C12H10INO2S and a molecular weight of 359.19 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
PubChem CID113222923
Molecular FormulaC12H10INO2S
Molecular Weight359.19 g/mol
Exact Mass358.95
IUPAC Name2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCc1ccsc1)c1cc(I)ccc1O
InChIInChI=1S/C12H10INO2S/c13-9-1-2-11(15)10(5-9)12(16)14-6-8-3-4-17-7-8/h1-5,7,15H,6H2,(H,14,16)
InChIKeyIYVQZEWBCGMTBF-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
N-[(4-fluorophenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 27256756
2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385091
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107731417
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103877808
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029562
4-bromo-2-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029559
2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 103600269

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide (CID 113222923) is 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide is O=C(NCc1ccsc1)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is IYVQZEWBCGMTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2S/c13-9-1-2-11(15)10(5-9)12(16)14-6-8-3-4-17-7-8/h1-5,7,15H,6H2,(H,14,16).
What are the key properties of 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide?
2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 359.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 113222923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).