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

C14H22N2OS — CID 43290677

IUPAC2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCCN(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C14H22N2OS/c1-3-8-16(2)9-10-17-13-6-4-12(5-7-13)11-14(15)18/h4-7H,3,8-11H2,1-2H3,(H2,15,18)
InChIKeyXDNKYYIZLXOWHN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.24
Rot. Bonds8

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

2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide (PubChem CID 43290677) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
PubChem CID43290677
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCCN(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C14H22N2OS/c1-3-8-16(2)9-10-17-13-6-4-12(5-7-13)11-14(15)18/h4-7H,3,8-11H2,1-2H3,(H2,15,18)
InChIKeyXDNKYYIZLXOWHN-UHFFFAOYSA-N
XLogP2.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.24
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-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
4-[2-[methyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290676
2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 43572109
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
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
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
CID 43291475
2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
CID 61432522

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide (CID 43290677) is 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide is CCCN(C)CCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide?
The InChIKey is XDNKYYIZLXOWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-8-16(2)9-10-17-13-6-4-12(5-7-13)11-14(15)18/h4-7H,3,8-11H2,1-2H3,(H2,15,18).
What are the key properties of 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide?
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide has a molecular weight of 266.41 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 43290677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).