[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate

C14H12FNO3S — CID 1084756

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCc1ccc(F)cc1
InChIInChI=1S/C14H12FNO3S/c15-11-5-3-10(4-6-11)8-16-13(17)9-19-14(18)12-2-1-7-20-12/h1-7H,8-9H2,(H,16,17)
InChIKeyNGAKAIDBWQJFSI-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.36
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 1084756) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID1084756
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCc1ccc(F)cc1
InChIInChI=1S/C14H12FNO3S/c15-11-5-3-10(4-6-11)8-16-13(17)9-19-14(18)12-2-1-7-20-12/h1-7H,8-9H2,(H,16,17)
InChIKeyNGAKAIDBWQJFSI-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 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

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate (CID 1084756) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is NGAKAIDBWQJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c15-11-5-3-10(4-6-11)8-16-13(17)9-19-14(18)12-2-1-7-20-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 1084756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).