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

C16H26N2OS — CID 43572109

IUPAC2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCCC(C)N(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C16H26N2OS/c1-4-5-13(2)18(3)10-11-19-15-8-6-14(7-9-15)12-16(17)20/h6-9,13H,4-5,10-12H2,1-3H3,(H2,17,20)
InChIKeyRTGLZZUZBBAGOE-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.01
Rot. Bonds9

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

2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide (PubChem CID 43572109) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
PubChem CID43572109
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCCC(C)N(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C16H26N2OS/c1-4-5-13(2)18(3)10-11-19-15-8-6-14(7-9-15)12-16(17)20/h6-9,13H,4-5,10-12H2,1-3H3,(H2,17,20)
InChIKeyRTGLZZUZBBAGOE-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.01
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-[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-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid
CID 63066904
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide
CID 102981871
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
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-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide (CID 43572109) is 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide is CCCC(C)N(C)CCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide?
The InChIKey is RTGLZZUZBBAGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-5-13(2)18(3)10-11-19-15-8-6-14(7-9-15)12-16(17)20/h6-9,13H,4-5,10-12H2,1-3H3,(H2,17,20).
What are the key properties of 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide?
2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide has a molecular weight of 294.46 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 43572109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).