N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

C13H12FNOS — CID 697434

IUPACN-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H12FNOS/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyBXAAUOBCGBLGIW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 697434) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID697434
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC NameN-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H12FNOS/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyBXAAUOBCGBLGIW-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (CID 697434) is N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is BXAAUOBCGBLGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 697434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).