2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide

C12H18N2O2S — CID 122556683

IUPAC2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
SMILESCCSCC(=O)NC(COC)c1ccccn1
InChIInChI=1S/C12H18N2O2S/c1-3-17-9-12(15)14-11(8-16-2)10-6-4-5-7-13-10/h4-7,11H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyGTVZVWXEEJPNNN-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.64
Rot. Bonds7

About 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide

2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide (PubChem CID 122556683) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
PubChem CID122556683
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
SMILESCCSCC(=O)NC(COC)c1ccccn1
InChIInChI=1S/C12H18N2O2S/c1-3-17-9-12(15)14-11(8-16-2)10-6-4-5-7-13-10/h4-7,11H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyGTVZVWXEEJPNNN-UHFFFAOYSA-N
XLogP1.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 50958576
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-3-ylacetamide
CID 125446493
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
CID 122557901
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
CID 122562645
N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
CID 122559880

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide (CID 122556683) is 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide is CCSCC(=O)NC(COC)c1ccccn1.
What is the InChIKey of 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide?
The InChIKey is GTVZVWXEEJPNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-17-9-12(15)14-11(8-16-2)10-6-4-5-7-13-10/h4-7,11H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide?
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide has a molecular weight of 254.35 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 122556683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).