N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide

C13H12FNOS2 — CID 107027791

IUPACN-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(S)cs1)c1ccccc1F
InChIInChI=1S/C13H12FNOS2/c1-2-15(11-6-4-3-5-10(11)14)13(16)12-7-9(17)8-18-12/h3-8,17H,2H2,1H3
InChIKeyLOFBHLOWKWGYNR-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.84
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide

N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107027791) has the molecular formula C13H12FNOS2 and a molecular weight of 281.38 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107027791
Molecular FormulaC13H12FNOS2
Molecular Weight281.38 g/mol
Exact Mass281.03
IUPAC NameN-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(S)cs1)c1ccccc1F
InChIInChI=1S/C13H12FNOS2/c1-2-15(11-6-4-3-5-10(11)14)13(16)12-7-9(17)8-18-12/h3-8,17H,2H2,1H3
InChIKeyLOFBHLOWKWGYNR-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide (CID 107027791) is N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide is CCN(C(=O)c1cc(S)cs1)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is LOFBHLOWKWGYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS2/c1-2-15(11-6-4-3-5-10(11)14)13(16)12-7-9(17)8-18-12/h3-8,17H,2H2,1H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide?
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107027791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).