2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide

C14H22N2O2S — CID 54879731

IUPAC2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCN(CCO)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-16(7-9-17)8-10-18-13-5-3-12(4-6-13)11-14(15)19/h3-6,17H,2,7-11H2,1H3,(H2,15,19)
InChIKeyJHGORBPEJQYEPG-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.21
Rot. Bonds9

About 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide

2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide (PubChem CID 54879731) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide
PubChem CID54879731
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCN(CCO)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-16(7-9-17)8-10-18-13-5-3-12(4-6-13)11-14(15)19/h3-6,17H,2,7-11H2,1H3,(H2,15,19)
InChIKeyJHGORBPEJQYEPG-UHFFFAOYSA-N
XLogP1.21
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 43572109
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
2-[4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 115985922
4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290637
2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
CID 43291468
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide (CID 54879731) is 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide is CCN(CCO)CCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide?
The InChIKey is JHGORBPEJQYEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-16(7-9-17)8-10-18-13-5-3-12(4-6-13)11-14(15)19/h3-6,17H,2,7-11H2,1H3,(H2,15,19).
What are the key properties of 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide?
2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide has a molecular weight of 282.41 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 54879731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).