2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide

C12H16BrNO2S — CID 92936508

IUPAC2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCCBr
InChIInChI=1S/C12H16BrNO2S/c1-2-16-11-6-4-3-5-10(11)14-12(15)9-17-8-7-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyNOGYSYFLOGQANF-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.15
Rot. Bonds7

About 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide

2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 92936508) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
PubChem CID92936508
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCCBr
InChIInChI=1S/C12H16BrNO2S/c1-2-16-11-6-4-3-5-10(11)14-12(15)9-17-8-7-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyNOGYSYFLOGQANF-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
2-amino-4-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 60920196
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1412036
4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 1412043
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769058
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide (CID 92936508) is 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSCCBr.
What is the InChIKey of 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is NOGYSYFLOGQANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-2-16-11-6-4-3-5-10(11)14-12(15)9-17-8-7-13/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide?
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 318.24 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 92936508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).