3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide

C13H16INO2S — CID 104628956

IUPAC3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCCC1NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H16INO2S/c1-18-12-4-2-3-10(12)15-13(17)8-5-6-9(14)11(16)7-8/h5-7,10,12,16H,2-4H2,1H3,(H,15,17)
InChIKeyBIYCRTYAKAJXBF-UHFFFAOYSA-N
MW377.25 g/mol
LogP3.01
Rot. Bonds3

About 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide

3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide (PubChem CID 104628956) has the molecular formula C13H16INO2S and a molecular weight of 377.25 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide
PubChem CID104628956
Molecular FormulaC13H16INO2S
Molecular Weight377.25 g/mol
Exact Mass376.99
IUPAC Name3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCCC1NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H16INO2S/c1-18-12-4-2-3-10(12)15-13(17)8-5-6-9(14)11(16)7-8/h5-7,10,12,16H,2-4H2,1H3,(H,15,17)
InChIKeyBIYCRTYAKAJXBF-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 53.01
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

3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
CID 104627390
3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104939046
N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
CID 114124428
3-[(2-methylsulfanylcyclohexyl)carbamoyl]benzoic acid
CID 103866458
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
N-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
3-hydroxy-4-iodo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113434890
4-fluoro-2-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 103888808
4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide
CID 97215389
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
CID 103747794
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104917753

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide (CID 104628956) is 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide is CSC1CCCC1NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide?
The InChIKey is BIYCRTYAKAJXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO2S/c1-18-12-4-2-3-10(12)15-13(17)8-5-6-9(14)11(16)7-8/h5-7,10,12,16H,2-4H2,1H3,(H,15,17).
What are the key properties of 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide?
3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide has a molecular weight of 377.25 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 3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 104628956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).