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

C15H24N2OS — CID 43290319

IUPAC2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCCCN(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H24N2OS/c1-3-4-9-17(2)10-11-18-14-7-5-13(6-8-14)12-15(16)19/h5-8H,3-4,9-12H2,1-2H3,(H2,16,19)
InChIKeyNAPMZGXQMYEYJR-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.63
Rot. Bonds9

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

2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide (PubChem CID 43290319) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
PubChem CID43290319
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCCCN(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H24N2OS/c1-3-4-9-17(2)10-11-18-14-7-5-13(6-8-14)12-15(16)19/h5-8H,3-4,9-12H2,1-2H3,(H2,16,19)
InChIKeyNAPMZGXQMYEYJR-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.63
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-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
CID 43291475
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-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
4-[2-[methyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290676
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-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide (CID 43290319) is 2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide is CCCCN(C)CCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The InChIKey is NAPMZGXQMYEYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-4-9-17(2)10-11-18-14-7-5-13(6-8-14)12-15(16)19/h5-8H,3-4,9-12H2,1-2H3,(H2,16,19).
What are the key properties of 2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide has a molecular weight of 280.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 43290319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).