[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

C15H14FNO3S — CID 2437379

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18)
InChIKeyXTCJIJJMXVHPNO-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.29
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2437379) 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-3-ylacetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2437379
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18)
InChIKeyXTCJIJJMXVHPNO-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

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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
[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
(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
CID 3154684
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630918
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338047
2-(Benzylamino)-2-oxoethyl thiophene-2-carboxylate
CID 2355161
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2437339
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2490629

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2437379) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is XTCJIJJMXVHPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-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-3-ylacetate is sourced from PubChem (CID 2437379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).