[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate

C15H14FNO3S — CID 16540250

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)9-17-14(18)10-20-15(19)8-13-2-1-7-21-13/h1-7H,8-10H2,(H,17,18)
InChIKeyUIFDRDQYCUFSHE-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.29
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 16540250) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID16540250
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)9-17-14(18)10-20-15(19)8-13-2-1-7-21-13/h1-7H,8-10H2,(H,17,18)
InChIKeyUIFDRDQYCUFSHE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate 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-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-difluorobenzoate
CID 2481084
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552529
Phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578853
(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
CID 3154684
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630918
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
2-Oxo-2-(2-thienyl)ethyl ({[(4-methylbenzoyl)amino]acetyl}amino)acetate
CID 1614532
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338047

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate (CID 16540250) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate is O=C(COC(=O)Cc1cccs1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is UIFDRDQYCUFSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)9-17-14(18)10-20-15(19)8-13-2-1-7-21-13/h1-7H,8-10H2,(H,17,18).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 307.35 g/mol, XLogP of 2.29, 6 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] 2-thiophen-2-ylacetate is sourced from PubChem (CID 16540250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).