2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide

C15H24N2OS — CID 84749859

IUPAC2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide
SMILESCCCCN(C)C(C(N)=S)c1ccc(OCC)cc1
InChIInChI=1S/C15H24N2OS/c1-4-6-11-17(3)14(15(16)19)12-7-9-13(10-8-12)18-5-2/h7-10,14H,4-6,11H2,1-3H3,(H2,16,19)
InChIKeyUUXGTQZUCXIWPZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.14
Rot. Bonds8

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

2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide (PubChem CID 84749859) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide
PubChem CID84749859
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide
SMILESCCCCN(C)C(C(N)=S)c1ccc(OCC)cc1
InChIInChI=1S/C15H24N2OS/c1-4-6-11-17(3)14(15(16)19)12-7-9-13(10-8-12)18-5-2/h7-10,14H,4-6,11H2,1-3H3,(H2,16,19)
InChIKeyUUXGTQZUCXIWPZ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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-[butyl(methyl)amino]-2-(3-fluorophenyl)ethanethioamide
CID 84749871
2-[butyl(methyl)amino]-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84749884
2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749057
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
amino-(4-ethoxyphenyl)methanol
CID 116939610
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethanethioamide
CID 84748593
2-(3-ethoxy-2-hydroxyphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanethioamide
CID 84749695
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide?
The IUPAC name of 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide (CID 84749859) is 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide?
The canonical SMILES for 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide is CCCCN(C)C(C(N)=S)c1ccc(OCC)cc1.
What is the InChIKey of 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide?
The InChIKey is UUXGTQZUCXIWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-6-11-17(3)14(15(16)19)12-7-9-13(10-8-12)18-5-2/h7-10,14H,4-6,11H2,1-3H3,(H2,16,19).
What are the key properties of 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide?
2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide has a molecular weight of 280.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide is sourced from PubChem (CID 84749859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).