N-(2-iodophenyl)-2-propylsulfanylacetamide

C11H14INOS — CID 87023608

IUPACN-(2-iodophenyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1ccccc1I
InChIInChI=1S/C11H14INOS/c1-2-7-15-8-11(14)13-10-6-4-3-5-9(10)12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyDNXZDTKARNPHJF-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.37
Rot. Bonds5

About N-(2-iodophenyl)-2-propylsulfanylacetamide

N-(2-iodophenyl)-2-propylsulfanylacetamide (PubChem CID 87023608) has the molecular formula C11H14INOS and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-propylsulfanylacetamide
PubChem CID87023608
Molecular FormulaC11H14INOS
Molecular Weight335.21 g/mol
Exact Mass334.98
IUPAC NameN-(2-iodophenyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1ccccc1I
InChIInChI=1S/C11H14INOS/c1-2-7-15-8-11(14)13-10-6-4-3-5-9(10)12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyDNXZDTKARNPHJF-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
CID 42998398
2-benzylsulfanyl-N-(2-iodophenyl)acetamide
CID 4779995
2-(2-hydroxyphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 62000302
2-[2-[(2-butylsulfanylacetyl)amino]phenyl]acetic acid
CID 62535151
2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 112781301
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide
CID 42254906
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
N-(2-iodophenyl)-2-methylsulfonylacetamide
CID 47207428
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 79147398
3-[2-(2-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24694471

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-propylsulfanylacetamide?
The IUPAC name of N-(2-iodophenyl)-2-propylsulfanylacetamide (CID 87023608) is N-(2-iodophenyl)-2-propylsulfanylacetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-propylsulfanylacetamide?
The canonical SMILES for N-(2-iodophenyl)-2-propylsulfanylacetamide is CCCSCC(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-propylsulfanylacetamide?
The InChIKey is DNXZDTKARNPHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INOS/c1-2-7-15-8-11(14)13-10-6-4-3-5-9(10)12/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-(2-iodophenyl)-2-propylsulfanylacetamide?
N-(2-iodophenyl)-2-propylsulfanylacetamide has a molecular weight of 335.21 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-propylsulfanylacetamide is sourced from PubChem (CID 87023608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).