2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide

C11H14ClNO2S — CID 112778862

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2S/c1-15-7-6-13-11(14)8-16-10-5-3-2-4-9(10)12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyREQUOKMMUFSTNG-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.19
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide (PubChem CID 112778862) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
PubChem CID112778862
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2S/c1-15-7-6-13-11(14)8-16-10-5-3-2-4-9(10)12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyREQUOKMMUFSTNG-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119383840
N-(2,4-dichlorophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55335321
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 34666615
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(1-phenylethyl)benzamide
CID 55334460
2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33105271
2-propan-2-yloxyethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55356954
N-(2-amino-2-methylpropyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119627706
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide (CID 112778862) is 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide?
The InChIKey is REQUOKMMUFSTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-15-7-6-13-11(14)8-16-10-5-3-2-4-9(10)12/h2-5H,6-8H2,1H3,(H,13,14).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide has a molecular weight of 259.76 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 112778862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).