2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide

C12H16INO2S — CID 113351481

IUPAC2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H16INO2S/c1-3-9(7-17-2)14-12(16)10-6-8(13)4-5-11(10)15/h4-6,9,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyGLCKHSZICFDORP-UHFFFAOYSA-N
MW365.24 g/mol
LogP2.87
Rot. Bonds5

About 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide

2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 113351481) has the molecular formula C12H16INO2S and a molecular weight of 365.24 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID113351481
Molecular FormulaC12H16INO2S
Molecular Weight365.24 g/mol
Exact Mass364.99
IUPAC Name2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H16INO2S/c1-3-9(7-17-2)14-12(16)10-6-8(13)4-5-11(10)15/h4-6,9,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyGLCKHSZICFDORP-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'}

Analyze 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351023
2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579022
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 107731519
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 103713644
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103526844
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide
CID 107731679
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 113351481) is 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)NC(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is GLCKHSZICFDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2S/c1-3-9(7-17-2)14-12(16)10-6-8(13)4-5-11(10)15/h4-6,9,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide?
2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)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 2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 113351481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).