2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide

C15H23NO2S — CID 102981871

IUPAC2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide
SMILESCCCC(C)OCCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-12(2)17-9-10-18-14-7-5-13(6-8-14)11-15(16)19/h5-8,12H,3-4,9-11H2,1-2H3,(H2,16,19)
InChIKeyJLSOCNPCSBONRF-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.10
Rot. Bonds9

About 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide

2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide (PubChem CID 102981871) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide
PubChem CID102981871
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide
SMILESCCCC(C)OCCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-12(2)17-9-10-18-14-7-5-13(6-8-14)11-15(16)19/h5-8,12H,3-4,9-11H2,1-2H3,(H2,16,19)
InChIKeyJLSOCNPCSBONRF-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.10
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'}

Analyze 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 43572109
2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
CID 43291468
2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
CID 43291475
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
2-[2-(4-ethylphenoxy)ethoxy]propanethioamide
CID 114266266
2-[4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 115985922
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
2-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]ethanethioamide
CID 43291208
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide
CID 54879731

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide (CID 102981871) is 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide is CCCC(C)OCCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide?
The InChIKey is JLSOCNPCSBONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-4-12(2)17-9-10-18-14-7-5-13(6-8-14)11-15(16)19/h5-8,12H,3-4,9-11H2,1-2H3,(H2,16,19).
What are the key properties of 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide?
2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide has a molecular weight of 281.42 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide is sourced from PubChem (CID 102981871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).