[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate

C15H14FNO3S — CID 8861267

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NCCc1cccs1
InChIInChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)15(19)20-10-14(18)17-8-7-13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeySKVYQHLYUGGBMK-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.40
Rot. Bonds6

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

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate (PubChem CID 8861267) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
PubChem CID8861267
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NCCc1cccs1
InChIInChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)15(19)20-10-14(18)17-8-7-13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeySKVYQHLYUGGBMK-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-fluorobenzoate
CID 8861273
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-amino-4-fluorobenzoate
CID 24501401
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-pyrazol-1-ylbenzoate
CID 8956273
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-phenylmethoxybenzoate
CID 8952047
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 7603968
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7735138
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methoxybenzoate
CID 8866793
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(dimethylamino)benzoate
CID 7778581
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 8946943
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
CID 8748008
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-4-nitrobenzoate
CID 7604249

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate (CID 8861267) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate?
The InChIKey is SKVYQHLYUGGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)15(19)20-10-14(18)17-8-7-13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate has a molecular weight of 307.35 g/mol, XLogP of 2.40, 6 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] 4-fluorobenzoate is sourced from PubChem (CID 8861267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).