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

C15H24N2OS — CID 43290703

IUPAC2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCC(C)N(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H24N2OS/c1-4-12(2)17(3)9-10-18-14-7-5-13(6-8-14)11-15(16)19/h5-8,12H,4,9-11H2,1-3H3,(H2,16,19)
InChIKeyNGROPFQKUPWFMB-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.62
Rot. Bonds8

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

2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide (PubChem CID 43290703) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
PubChem CID43290703
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCCC(C)N(C)CCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H24N2OS/c1-4-12(2)17(3)9-10-18-14-7-5-13(6-8-14)11-15(16)19/h5-8,12H,4,9-11H2,1-3H3,(H2,16,19)
InChIKeyNGROPFQKUPWFMB-UHFFFAOYSA-N
XLogP2.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.62
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(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-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide
CID 102981871
2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide
CID 54879731
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
CID 43291468
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid
CID 63066904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide (CID 43290703) is 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide is CCC(C)N(C)CCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The InChIKey is NGROPFQKUPWFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-12(2)17(3)9-10-18-14-7-5-13(6-8-14)11-15(16)19/h5-8,12H,4,9-11H2,1-3H3,(H2,16,19).
What are the key properties of 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide?
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide has a molecular weight of 280.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 43290703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).