2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide

C18H20INO3S — CID 42998398

IUPAC2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
SMILESCCOc1ccc(OCCSCC(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C18H20INO3S/c1-2-22-14-7-9-15(10-8-14)23-11-12-24-13-18(21)20-17-6-4-3-5-16(17)19/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyQNGKPXBCIHPINL-UHFFFAOYSA-N
MW457.33 g/mol
LogP4.44
Rot. Bonds9

About 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide

2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide (PubChem CID 42998398) has the molecular formula C18H20INO3S and a molecular weight of 457.33 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
PubChem CID42998398
Molecular FormulaC18H20INO3S
Molecular Weight457.33 g/mol
Exact Mass457.02
IUPAC Name2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
SMILESCCOc1ccc(OCCSCC(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C18H20INO3S/c1-2-22-14-7-9-15(10-8-14)23-11-12-24-13-18(21)20-17-6-4-3-5-16(17)19/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyQNGKPXBCIHPINL-UHFFFAOYSA-N
XLogP4.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-iodophenyl)-2-propylsulfanylacetamide
CID 87023608
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 43000850
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 82181056
2-benzylsulfanyl-N-(2-iodophenyl)acetamide
CID 4779995
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
CID 31543597
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7731773

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide (CID 42998398) is 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide is CCOc1ccc(OCCSCC(=O)Nc2ccccc2I)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide?
The InChIKey is QNGKPXBCIHPINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO3S/c1-2-22-14-7-9-15(10-8-14)23-11-12-24-13-18(21)20-17-6-4-3-5-16(17)19/h3-10H,2,11-13H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide?
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide has a molecular weight of 457.33 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 42998398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).