[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

C16H16FNO3S — CID 9080583

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCCc1ccccc1F
InChIInChI=1S/C16H16FNO3S/c17-14-4-2-1-3-13(14)5-7-18-15(19)10-21-16(20)9-12-6-8-22-11-12/h1-4,6,8,11H,5,7,9-10H2,(H,18,19)
InChIKeyABISSPNPUBCZIQ-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.33
Rot. Bonds7

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 9080583) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID9080583
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCCc1ccccc1F
InChIInChI=1S/C16H16FNO3S/c17-14-4-2-1-3-13(14)5-7-18-15(19)10-21-16(20)9-12-6-8-22-11-12/h1-4,6,8,11H,5,7,9-10H2,(H,18,19)
InChIKeyABISSPNPUBCZIQ-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-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
[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-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2437339
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2490629
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3336867
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4373090
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24979827
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24980020

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 9080583) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NCCc1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is ABISSPNPUBCZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c17-14-4-2-1-3-13(14)5-7-18-15(19)10-21-16(20)9-12-6-8-22-11-12/h1-4,6,8,11H,5,7,9-10H2,(H,18,19).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate 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-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 9080583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).