[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

C18H14FNO4S — CID 18192437

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NCc1ccco1
InChIInChI=1S/C18H14FNO4S/c19-13-5-3-12(4-6-13)15-7-8-16(25-15)18(22)24-11-17(21)20-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,20,21)
InChIKeyASUVGQKNYAGPKO-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.62
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 18192437) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID18192437
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NCc1ccco1
InChIInChI=1S/C18H14FNO4S/c19-13-5-3-12(4-6-13)15-7-8-16(25-15)18(22)24-11-17(21)20-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,20,21)
InChIKeyASUVGQKNYAGPKO-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847849
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8511954
5-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 18111307
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712845
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712486
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18109835
5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 38404678
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate
CID 17397079
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 31864106

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 18192437) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is ASUVGQKNYAGPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c19-13-5-3-12(4-6-13)15-7-8-16(25-15)18(22)24-11-17(21)20-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,20,21).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 18192437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).