N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide

C14H14FNOS — CID 4878729

IUPACN-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide
SMILESCC(NC(=O)Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNOS/c1-10(12-2-4-13(15)5-3-12)16-14(17)8-11-6-7-18-9-11/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyWSFILDNBWGPTAJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.31
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide

N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 4878729) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide
PubChem CID4878729
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide
SMILESCC(NC(=O)Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNOS/c1-10(12-2-4-13(15)5-3-12)16-14(17)8-11-6-7-18-9-11/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyWSFILDNBWGPTAJ-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide (CID 4878729) is N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide is CC(NC(=O)Cc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is WSFILDNBWGPTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-10(12-2-4-13(15)5-3-12)16-14(17)8-11-6-7-18-9-11/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide?
N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4878729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).