3-(4-ethyl-2-methoxyphenoxy)propanethioamide

C12H17NO2S — CID 107664967

IUPAC3-(4-ethyl-2-methoxyphenoxy)propanethioamide
SMILESCCc1ccc(OCCC(N)=S)c(OC)c1
InChIInChI=1S/C12H17NO2S/c1-3-9-4-5-10(11(8-9)14-2)15-7-6-12(13)16/h4-5,8H,3,6-7H2,1-2H3,(H2,13,16)
InChIKeyNOSAUDQOXQBGAH-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.31
Rot. Bonds6

About 3-(4-ethyl-2-methoxyphenoxy)propanethioamide

3-(4-ethyl-2-methoxyphenoxy)propanethioamide (PubChem CID 107664967) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenoxy)propanethioamide.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxyphenoxy)propanethioamide
PubChem CID107664967
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(4-ethyl-2-methoxyphenoxy)propanethioamide
SMILESCCc1ccc(OCCC(N)=S)c(OC)c1
InChIInChI=1S/C12H17NO2S/c1-3-9-4-5-10(11(8-9)14-2)15-7-6-12(13)16/h4-5,8H,3,6-7H2,1-2H3,(H2,13,16)
InChIKeyNOSAUDQOXQBGAH-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 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 ≤ 52.31
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-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787
4-(3-methoxy-4-propoxyphenyl)-3-methylbutanethioamide
CID 83938481
4-(2-fluoroethoxy)-3-methoxybenzenecarbothioamide
CID 80693896
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240
methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate
CID 107668050
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide
CID 107664858
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)propanethioamide?
The IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)propanethioamide (CID 107664967) is 3-(4-ethyl-2-methoxyphenoxy)propanethioamide.
What is the SMILES notation for 3-(4-ethyl-2-methoxyphenoxy)propanethioamide?
The canonical SMILES for 3-(4-ethyl-2-methoxyphenoxy)propanethioamide is CCc1ccc(OCCC(N)=S)c(OC)c1.
What is the InChIKey of 3-(4-ethyl-2-methoxyphenoxy)propanethioamide?
The InChIKey is NOSAUDQOXQBGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-9-4-5-10(11(8-9)14-2)15-7-6-12(13)16/h4-5,8H,3,6-7H2,1-2H3,(H2,13,16).
What are the key properties of 3-(4-ethyl-2-methoxyphenoxy)propanethioamide?
3-(4-ethyl-2-methoxyphenoxy)propanethioamide has a molecular weight of 239.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methoxyphenoxy)propanethioamide is sourced from PubChem (CID 107664967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).