2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide

C12H17NO2S — CID 110479161

IUPAC2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide
SMILESCOCC(=O)NCCc1ccccc1SC
InChIInChI=1S/C12H17NO2S/c1-15-9-12(14)13-8-7-10-5-3-4-6-11(10)16-2/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyUBOWXGXEJMOCFB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.71
Rot. Bonds6

About 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide

2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 110479161) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide
PubChem CID110479161
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide
SMILESCOCC(=O)NCCc1ccccc1SC
InChIInChI=1S/C12H17NO2S/c1-15-9-12(14)13-8-7-10-5-3-4-6-11(10)16-2/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyUBOWXGXEJMOCFB-UHFFFAOYSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479196
methyl N-[(2-methylsulfanylphenyl)methyl]carbamate
CID 110477809
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
2-(2-methylsulfanylphenyl)-N-propylacetamide
CID 110485576
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 108540329
1-methyl-N-[2-(2-methylsulfanylphenyl)ethyl]triazole-4-carboxamide
CID 110482116
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841100
N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide
CID 53387443
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
CID 108542258

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide (CID 110479161) is 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide is COCC(=O)NCCc1ccccc1SC.
What is the InChIKey of 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is UBOWXGXEJMOCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-9-12(14)13-8-7-10-5-3-4-6-11(10)16-2/h3-6H,7-9H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide?
2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 239.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 110479161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).