2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide

C14H22N2OS — CID 84749068

IUPAC2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
SMILESCCCCN(CC)C(C(N)=S)c1cccc(O)c1
InChIInChI=1S/C14H22N2OS/c1-3-5-9-16(4-2)13(14(15)18)11-7-6-8-12(17)10-11/h6-8,10,13,17H,3-5,9H2,1-2H3,(H2,15,18)
InChIKeyWXFDEJPUJJZLCW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.84
Rot. Bonds7

About 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide

2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide (PubChem CID 84749068) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
PubChem CID84749068
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
SMILESCCCCN(CC)C(C(N)=S)c1cccc(O)c1
InChIInChI=1S/C14H22N2OS/c1-3-5-9-16(4-2)13(14(15)18)11-7-6-8-12(17)10-11/h6-8,10,13,17H,3-5,9H2,1-2H3,(H2,15,18)
InChIKeyWXFDEJPUJJZLCW-UHFFFAOYSA-N
XLogP2.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
CID 84749245
2-[butyl(ethyl)amino]-2-thiophen-3-ylethanethioamide
CID 84758118
2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749057
2-[butyl(ethyl)amino]-2-(4-nitrophenyl)ethanethioamide
CID 84758101
2-[butyl(methyl)amino]-2-(3-fluorophenyl)ethanethioamide
CID 84749871
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
3-[[2-amino-1-(3-fluorophenyl)-2-sulfanylideneethyl]-ethylamino]propanoic acid
CID 84750093
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
3-[1-(N-butylanilino)ethyl]phenol
CID 82980304
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702
2-(diethylamino)-2-thiophen-3-ylethanethioamide
CID 84758197

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide?
The IUPAC name of 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide (CID 84749068) is 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide is CCCCN(CC)C(C(N)=S)c1cccc(O)c1.
What is the InChIKey of 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide?
The InChIKey is WXFDEJPUJJZLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-5-9-16(4-2)13(14(15)18)11-7-6-8-12(17)10-11/h6-8,10,13,17H,3-5,9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide?
2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide has a molecular weight of 266.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide is sourced from PubChem (CID 84749068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).