3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide

C12H16INO2S — CID 113434734

IUPAC3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
SMILESCSC(C)CCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H16INO2S/c1-8(17-2)5-6-14-12(16)9-3-4-10(13)11(15)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyHCDKKOLLTWLADI-UHFFFAOYSA-N
MW365.24 g/mol
LogP2.87
Rot. Bonds5

About 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide

3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide (PubChem CID 113434734) has the molecular formula C12H16INO2S and a molecular weight of 365.24 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
PubChem CID113434734
Molecular FormulaC12H16INO2S
Molecular Weight365.24 g/mol
Exact Mass364.99
IUPAC Name3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
SMILESCSC(C)CCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H16INO2S/c1-8(17-2)5-6-14-12(16)9-3-4-10(13)11(15)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyHCDKKOLLTWLADI-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 52.87
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-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
CID 107168316
N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 115604124
3-hydroxy-4-iodo-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 104627726
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide (CID 113434734) is 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide is CSC(C)CCNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide?
The InChIKey is HCDKKOLLTWLADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2S/c1-8(17-2)5-6-14-12(16)9-3-4-10(13)11(15)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide?
3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide has a molecular weight of 365.24 g/mol, XLogP of 2.87, 5 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-(3-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 113434734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).