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

C15H14FNO3S — CID 8630918

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)7-8-17-14(18)10-20-15(19)13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyUPYWGTLKJJPXHJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.40
Rot. Bonds6

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

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 8630918) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID8630918
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)7-8-17-14(18)10-20-15(19)13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyUPYWGTLKJJPXHJ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413047
[2-(Ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2418493
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2428702
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromobenzoate
CID 2428898
[2-(Cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432541
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
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
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate (CID 8630918) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is UPYWGTLKJJPXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-12-5-3-11(4-6-12)7-8-17-14(18)10-20-15(19)13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 8630918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).