2-[4-(2-methoxyethyl)phenoxy]ethanethioamide

C11H15NO2S — CID 43352082

IUPAC2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
SMILESCOCCc1ccc(OCC(N)=S)cc1
InChIInChI=1S/C11H15NO2S/c1-13-7-6-9-2-4-10(5-3-9)14-8-11(12)15/h2-5H,6-8H2,1H3,(H2,12,15)
InChIKeyXPAOKUMPQLUHFE-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.54
Rot. Bonds6

About 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide

2-[4-(2-methoxyethyl)phenoxy]ethanethioamide (PubChem CID 43352082) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
PubChem CID43352082
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
SMILESCOCCc1ccc(OCC(N)=S)cc1
InChIInChI=1S/C11H15NO2S/c1-13-7-6-9-2-4-10(5-3-9)14-8-11(12)15/h2-5H,6-8H2,1H3,(H2,12,15)
InChIKeyXPAOKUMPQLUHFE-UHFFFAOYSA-N
XLogP1.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)ethanethioamide
CID 7745454
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
2-(4-propan-2-ylphenoxy)ethanethioamide
CID 7745462
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
2-[4-(2-methoxyethyl)phenoxy]acetonitrile
CID 43237929
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
1-(2-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413948
1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413943
1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
CID 62266291
2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide
CID 60891304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide?
The IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide (CID 43352082) is 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide.
What is the SMILES notation for 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide?
The canonical SMILES for 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide is COCCc1ccc(OCC(N)=S)cc1.
What is the InChIKey of 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide?
The InChIKey is XPAOKUMPQLUHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-13-7-6-9-2-4-10(5-3-9)14-8-11(12)15/h2-5H,6-8H2,1H3,(H2,12,15).
What are the key properties of 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide?
2-[4-(2-methoxyethyl)phenoxy]ethanethioamide has a molecular weight of 225.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)phenoxy]ethanethioamide is sourced from PubChem (CID 43352082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).