2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide

C14H21FN2S — CID 84749057

IUPAC2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide
SMILESCCCCN(CC)C(C(N)=S)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2S/c1-3-5-10-17(4-2)13(14(16)18)11-6-8-12(15)9-7-11/h6-9,13H,3-5,10H2,1-2H3,(H2,16,18)
InChIKeyGTOMPZYGAKUMPD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.27
Rot. Bonds7

About 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide

2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide (PubChem CID 84749057) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide
PubChem CID84749057
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide
SMILESCCCCN(CC)C(C(N)=S)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2S/c1-3-5-10-17(4-2)13(14(16)18)11-6-8-12(15)9-7-11/h6-9,13H,3-5,10H2,1-2H3,(H2,16,18)
InChIKeyGTOMPZYGAKUMPD-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749485
2-[butyl(ethyl)amino]-2-thiophen-3-ylethanethioamide
CID 84758118
2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
CID 84749068
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
3-[[2-amino-1-(3-fluorophenyl)-2-sulfanylideneethyl]-ethylamino]propanoic acid
CID 84750093
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
2-[butyl(methyl)amino]-2-(3-fluorophenyl)ethanethioamide
CID 84749871
2-[ethyl(2-hydroxyethyl)amino]-2-(4-nitrophenyl)ethanethioamide
CID 84749471
2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
CID 84747042
2-[butyl(methyl)amino]-2-(4-ethoxyphenyl)ethanethioamide
CID 84749859
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide?
The IUPAC name of 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide (CID 84749057) is 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide is CCCCN(CC)C(C(N)=S)c1ccc(F)cc1.
What is the InChIKey of 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide?
The InChIKey is GTOMPZYGAKUMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-3-5-10-17(4-2)13(14(16)18)11-6-8-12(15)9-7-11/h6-9,13H,3-5,10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide?
2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide has a molecular weight of 268.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide is sourced from PubChem (CID 84749057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).