[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate

C18H14FNO4S — CID 648857

IUPAC[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
SMILESO=C(OC(C(=O)NCc1cccs1)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H14FNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-1-9-23-15)17(21)20-11-14-3-2-10-25-14/h1-10,16H,11H2,(H,20,21)
InChIKeyGEBHVYOUUKPLHS-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.69
Rot. Bonds6

About [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate

[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate (PubChem CID 648857) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
PubChem CID648857
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
SMILESO=C(OC(C(=O)NCc1cccs1)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H14FNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-1-9-23-15)17(21)20-11-14-3-2-10-25-14/h1-10,16H,11H2,(H,20,21)
InChIKeyGEBHVYOUUKPLHS-UHFFFAOYSA-N
XLogP3.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 51508279
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] furan-2-carboxylate
CID 651235
[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
CID 1470209
[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 1431793
[1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220319
[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1432029
[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 1470232
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
CID 24792279
N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 51686529
[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate?
The IUPAC name of [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate (CID 648857) is [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate.
What is the SMILES notation for [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate?
The canonical SMILES for [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate is O=C(OC(C(=O)NCc1cccs1)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate?
The InChIKey is GEBHVYOUUKPLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-1-9-23-15)17(21)20-11-14-3-2-10-25-14/h1-10,16H,11H2,(H,20,21).
What are the key properties of [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate?
[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate is sourced from PubChem (CID 648857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).