N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C14H13F3N2O3S — CID 111441452

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H13F3N2O3S/c15-14(16,17)10-2-1-4-19(13(10)22)7-12(21)18-6-11(20)9-3-5-23-8-9/h1-5,8,11,20H,6-7H2,(H,18,21)
InChIKeyFEKJQWSLXVTAPE-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.78
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111441452) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111441452
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H13F3N2O3S/c15-14(16,17)10-2-1-4-19(13(10)22)7-12(21)18-6-11(20)9-3-5-23-8-9/h1-5,8,11,20H,6-7H2,(H,18,21)
InChIKeyFEKJQWSLXVTAPE-UHFFFAOYSA-N
XLogP1.78
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110889033
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
CID 30749964
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55950499
N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111429139
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylpropyl)acetamide
CID 34362524
tert-butyl N-methyl-N-[2-methyl-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propyl]carbamate
CID 86934605
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide
CID 113258739
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 31700678

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111441452) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is FEKJQWSLXVTAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c15-14(16,17)10-2-1-4-19(13(10)22)7-12(21)18-6-11(20)9-3-5-23-8-9/h1-5,8,11,20H,6-7H2,(H,18,21).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 346.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111441452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).