2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide

C19H15F3N2O2S — CID 24764740

IUPAC2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide
SMILESO=C(Cc1ccc(-c2ccsc2)cc1)N[C@@H](c1ccc(O)cn1)C(F)(F)F
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)18(16-6-5-15(25)10-23-16)24-17(26)9-12-1-3-13(4-2-12)14-7-8-27-11-14/h1-8,10-11,18,25H,9H2,(H,24,26)/t18-/m0/s1
InChIKeyVLWZULCWTFDTLN-SFHVURJKSA-N
MW392.40 g/mol
LogP4.48
Rot. Bonds5

About 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide

2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide (PubChem CID 24764740) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide
PubChem CID24764740
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide
SMILESO=C(Cc1ccc(-c2ccsc2)cc1)N[C@@H](c1ccc(O)cn1)C(F)(F)F
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)18(16-6-5-15(25)10-23-16)24-17(26)9-12-1-3-13(4-2-12)14-7-8-27-11-14/h1-8,10-11,18,25H,9H2,(H,24,26)/t18-/m0/s1
InChIKeyVLWZULCWTFDTLN-SFHVURJKSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide (CID 24764740) is 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide is O=C(Cc1ccc(-c2ccsc2)cc1)N[C@@H](c1ccc(O)cn1)C(F)(F)F.
What is the InChIKey of 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide?
The InChIKey is VLWZULCWTFDTLN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c20-19(21,22)18(16-6-5-15(25)10-23-16)24-17(26)9-12-1-3-13(4-2-12)14-7-8-27-11-14/h1-8,10-11,18,25H,9H2,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide?
2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide has a molecular weight of 392.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-3-ylphenyl)-N-[(1S)-2,2,2-trifluoro-1-(5-hydroxy-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 24764740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).