[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate

C16H16FNO3S — CID 7604242

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NCCc1cccs1
InChIInChI=1S/C16H16FNO3S/c17-13-5-3-12(4-6-13)10-16(20)21-11-15(19)18-8-7-14-2-1-9-22-14/h1-6,9H,7-8,10-11H2,(H,18,19)
InChIKeyRCJSSDJXHIUWMY-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.33
Rot. Bonds7

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate (PubChem CID 7604242) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate
PubChem CID7604242
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NCCc1cccs1
InChIInChI=1S/C16H16FNO3S/c17-13-5-3-12(4-6-13)10-16(20)21-11-15(19)18-8-7-14-2-1-9-22-14/h1-6,9H,7-8,10-11H2,(H,18,19)
InChIKeyRCJSSDJXHIUWMY-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-difluorobenzoate
CID 2481084
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630918
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338047
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2490629
Diphenylacetylamino-acetic acid 2-oxo-2-thiophen-2-yl-ethyl ester
CID 3154680
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4373090
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4544969

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate (CID 7604242) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is RCJSSDJXHIUWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c17-13-5-3-12(4-6-13)10-16(20)21-11-15(19)18-8-7-14-2-1-9-22-14/h1-6,9H,7-8,10-11H2,(H,18,19).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 321.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 7604242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).