[2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C14H12FNO3S — CID 2502269

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H12FNO3S/c1-9-5-6-20-13(9)14(18)19-8-12(17)16-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyWUGWWERKWAAQRS-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.99
Rot. Bonds4

About [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2502269) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2502269
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H12FNO3S/c1-9-5-6-20-13(9)14(18)19-8-12(17)16-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyWUGWWERKWAAQRS-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Ethyl 4-[(thiophen-2-ylacetyl)amino]benzoate
CID 779619
[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 2099546
2-((3-Methoxyphenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 2352927
2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl thiophene-2-carboxylate
CID 9460276
ethyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 2329433
[2-(3-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 1679565
Ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 677613
Ethyl 2-amino-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 714559
4-Propionylamino-benzoic acid 2-oxo-2-thiophen-2-yl-ethyl ester
CID 952031
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate
CID 2352753

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2502269) is [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is WUGWWERKWAAQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-9-5-6-20-13(9)14(18)19-8-12(17)16-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2502269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).