2-[2-(4-ethylphenoxy)ethoxy]propanethioamide

C13H19NO2S — CID 114266266

IUPAC2-[2-(4-ethylphenoxy)ethoxy]propanethioamide
SMILESCCc1ccc(OCCOC(C)C(N)=S)cc1
InChIInChI=1S/C13H19NO2S/c1-3-11-4-6-12(7-5-11)16-9-8-15-10(2)13(14)17/h4-7,10H,3,8-9H2,1-2H3,(H2,14,17)
InChIKeyCHGBUPXTTRZUGA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds7

About 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide

2-[2-(4-ethylphenoxy)ethoxy]propanethioamide (PubChem CID 114266266) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)ethoxy]propanethioamide
PubChem CID114266266
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-[2-(4-ethylphenoxy)ethoxy]propanethioamide
SMILESCCc1ccc(OCCOC(C)C(N)=S)cc1
InChIInChI=1S/C13H19NO2S/c1-3-11-4-6-12(7-5-11)16-9-8-15-10(2)13(14)17/h4-7,10H,3,8-9H2,1-2H3,(H2,14,17)
InChIKeyCHGBUPXTTRZUGA-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide
CID 102981871
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2-[2-(4-ethylphenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 22680564
2-ethoxy-4-(4-ethylphenoxy)butan-1-amine
CID 63072009
1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
CID 142385956
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanethioamide
CID 104561989
4-[(4-ethylphenoxy)methyl]benzenecarbothioamide
CID 7745351
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229
1-(4-ethylphenoxy)butan-2-amine
CID 62038281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide?
The IUPAC name of 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide (CID 114266266) is 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide?
The canonical SMILES for 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide is CCc1ccc(OCCOC(C)C(N)=S)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide?
The InChIKey is CHGBUPXTTRZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-11-4-6-12(7-5-11)16-9-8-15-10(2)13(14)17/h4-7,10H,3,8-9H2,1-2H3,(H2,14,17).
What are the key properties of 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide?
2-[2-(4-ethylphenoxy)ethoxy]propanethioamide has a molecular weight of 253.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)ethoxy]propanethioamide is sourced from PubChem (CID 114266266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).