N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide

C16H16FNO2S — CID 2712705

IUPACN-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c17-13-5-3-12(4-6-13)9-10-18-16(20)8-7-14(19)15-2-1-11-21-15/h1-6,11H,7-10H2,(H,18,20)
InChIKeyMNLRNTGGKYWOFG-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 2712705) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID2712705
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c17-13-5-3-12(4-6-13)9-10-18-16(20)8-7-14(19)15-2-1-11-21-15/h1-6,11H,7-10H2,(H,18,20)
InChIKeyMNLRNTGGKYWOFG-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 2712705) is N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is MNLRNTGGKYWOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-13-5-3-12(4-6-13)9-10-18-16(20)8-7-14(19)15-2-1-11-21-15/h1-6,11H,7-10H2,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 305.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2712705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).