2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide

C15H16FNOS — CID 47014642

IUPAC2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FNOS/c1-11(14-4-3-9-19-14)17(2)15(18)10-12-5-7-13(16)8-6-12/h3-9,11H,10H2,1-2H3
InChIKeyMLYKRXSLSUSLBI-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide

2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 47014642) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID47014642
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FNOS/c1-11(14-4-3-9-19-14)17(2)15(18)10-12-5-7-13(16)8-6-12/h3-9,11H,10H2,1-2H3
InChIKeyMLYKRXSLSUSLBI-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide (CID 47014642) is 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide is CC(c1cccs1)N(C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is MLYKRXSLSUSLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-11(14-4-3-9-19-14)17(2)15(18)10-12-5-7-13(16)8-6-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 277.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 47014642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).