2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide

C16H18FNO2S — CID 110296240

IUPAC2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide
SMILESCOCCNC(=O)C(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c1-20-9-8-18-16(19)15(11-14-3-2-10-21-14)12-4-6-13(17)7-5-12/h2-7,10,15H,8-9,11H2,1H3,(H,18,19)
InChIKeyNANKHMKESRDZBW-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide

2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide (PubChem CID 110296240) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide
PubChem CID110296240
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide
SMILESCOCCNC(=O)C(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c1-20-9-8-18-16(19)15(11-14-3-2-10-21-14)12-4-6-13(17)7-5-12/h2-7,10,15H,8-9,11H2,1H3,(H,18,19)
InChIKeyNANKHMKESRDZBW-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide (CID 110296240) is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide is COCCNC(=O)C(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is NANKHMKESRDZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-20-9-8-18-16(19)15(11-14-3-2-10-21-14)12-4-6-13(17)7-5-12/h2-7,10,15H,8-9,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide?
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 307.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110296240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).