N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide

C13H18INO2S — CID 103713644

IUPACN-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
SMILESCCSCCC(C)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C13H18INO2S/c1-3-18-7-6-9(2)15-13(17)11-8-10(14)4-5-12(11)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyPMOMYTQCJWVUFC-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.26
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide

N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide (PubChem CID 103713644) has the molecular formula C13H18INO2S and a molecular weight of 379.26 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
PubChem CID103713644
Molecular FormulaC13H18INO2S
Molecular Weight379.26 g/mol
Exact Mass379.01
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
SMILESCCSCCC(C)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C13H18INO2S/c1-3-18-7-6-9(2)15-13(17)11-8-10(14)4-5-12(11)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyPMOMYTQCJWVUFC-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide 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

N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 115665154
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351481
2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115747545
5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115662149
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
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide (CID 103713644) is N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide is CCSCCC(C)NC(=O)c1cc(I)ccc1O.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide?
The InChIKey is PMOMYTQCJWVUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2S/c1-3-18-7-6-9(2)15-13(17)11-8-10(14)4-5-12(11)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide?
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide has a molecular weight of 379.26 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 103713644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).