[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate

C14H12FNO3S — CID 46860302

IUPAC[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3S/c1-16(11-6-4-10(15)5-7-11)13(17)9-19-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3
InChIKeyRAQXFEIMPUFNEP-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.71
Rot. Bonds4

About [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 46860302) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID46860302
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3S/c1-16(11-6-4-10(15)5-7-11)13(17)9-19-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3
InChIKeyRAQXFEIMPUFNEP-UHFFFAOYSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate
CID 46860340
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4-(4-fluorophenoxy)benzoate
CID 24524313
(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 18076313
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
aminomethyl thiophene-2-carboxylate
CID 142796710
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404837
N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
CID 94102437
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2115637

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 46860302) is [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate is CN(C(=O)COC(=O)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is RAQXFEIMPUFNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-16(11-6-4-10(15)5-7-11)13(17)9-19-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3.
What are the key properties of [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 46860302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).