2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile

C19H15FN2S — CID 126539271

IUPAC2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile
SMILESCCN(c1ccccc1)c1scc(-c2ccccc2F)c1C#N
InChIInChI=1S/C19H15FN2S/c1-2-22(14-8-4-3-5-9-14)19-16(12-21)17(13-23-19)15-10-6-7-11-18(15)20/h3-11,13H,2H2,1H3
InChIKeyJEBPOLJKFDBXMO-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.58
Rot. Bonds4

About 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile

2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile (PubChem CID 126539271) has the molecular formula C19H15FN2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile
PubChem CID126539271
Molecular FormulaC19H15FN2S
Molecular Weight322.41 g/mol
Exact Mass322.09
IUPAC Name2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile
SMILESCCN(c1ccccc1)c1scc(-c2ccccc2F)c1C#N
InChIInChI=1S/C19H15FN2S/c1-2-22(14-8-4-3-5-9-14)19-16(12-21)17(13-23-19)15-10-6-7-11-18(15)20/h3-11,13H,2H2,1H3
InChIKeyJEBPOLJKFDBXMO-UHFFFAOYSA-N
XLogP5.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile (CID 126539271) is 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile is CCN(c1ccccc1)c1scc(-c2ccccc2F)c1C#N.
What is the InChIKey of 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile?
The InChIKey is JEBPOLJKFDBXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2S/c1-2-22(14-8-4-3-5-9-14)19-16(12-21)17(13-23-19)15-10-6-7-11-18(15)20/h3-11,13H,2H2,1H3.
What are the key properties of 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile?
2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 126539271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).