2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide

C15H24N2O2S — CID 81056606

IUPAC2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCOCCN(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-18-10-8-17(2)9-11-19-14-6-4-13(5-7-14)12-15(16)20/h4-7H,3,8-12H2,1-2H3,(H2,16,20)
InChIKeyQNWYCJUHGBZOMO-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.86
Rot. Bonds10

About 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide

2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide (PubChem CID 81056606) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
PubChem CID81056606
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCOCCN(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-18-10-8-17(2)9-11-19-14-6-4-13(5-7-14)12-15(16)20/h4-7H,3,8-12H2,1-2H3,(H2,16,20)
InChIKeyQNWYCJUHGBZOMO-UHFFFAOYSA-N
XLogP1.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 43572109
2-[4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 115985922
2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide
CID 54879731
2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
CID 43291468
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
CID 43291475
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen
CID 143115345
2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
CID 61432522
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide (CID 81056606) is 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide is CCOCCN(C)CCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The InChIKey is QNWYCJUHGBZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-18-10-8-17(2)9-11-19-14-6-4-13(5-7-14)12-15(16)20/h4-7H,3,8-12H2,1-2H3,(H2,16,20).
What are the key properties of 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide has a molecular weight of 296.44 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 81056606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).