N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide

C12H17NO2S — CID 112766496

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
SMILESCOc1ccccc1CCNC(=O)CSC
InChIInChI=1S/C12H17NO2S/c1-15-11-6-4-3-5-10(11)7-8-13-12(14)9-16-2/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyIMGKGNJCUDWXOA-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.72
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide

N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide (PubChem CID 112766496) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
PubChem CID112766496
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
SMILESCOc1ccccc1CCNC(=O)CSC
InChIInChI=1S/C12H17NO2S/c1-15-11-6-4-3-5-10(11)7-8-13-12(14)9-16-2/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyIMGKGNJCUDWXOA-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 4788891
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594453

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide (CID 112766496) is N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide is COc1ccccc1CCNC(=O)CSC.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide?
The InChIKey is IMGKGNJCUDWXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-11-6-4-3-5-10(11)7-8-13-12(14)9-16-2/h3-6H,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 112766496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).