5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide

C16H17FN2O2S — CID 18168526

IUPAC5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O2S/c1-10(12-4-6-13(17)7-5-12)19(3)16(21)14-8-9-15(22-14)18-11(2)20/h4-10H,1-3H3,(H,18,20)
InChIKeyQJPSSDVPLIZRBF-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.68
Rot. Bonds4

About 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide

5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 18168526) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID18168526
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O2S/c1-10(12-4-6-13(17)7-5-12)19(3)16(21)14-8-9-15(22-14)18-11(2)20/h4-10H,1-3H3,(H,18,20)
InChIKeyQJPSSDVPLIZRBF-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide (CID 18168526) is 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(F)cc2)s1.
What is the InChIKey of 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is QJPSSDVPLIZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-10(12-4-6-13(17)7-5-12)19(3)16(21)14-8-9-15(22-14)18-11(2)20/h4-10H,1-3H3,(H,18,20).
What are the key properties of 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 18168526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).