N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H17F3N2O2S — CID 46678729

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1cccs1
InChIInChI=1S/C16H17F3N2O2S/c1-10(2)15(12-4-3-7-24-12)20-13(22)9-21-8-11(16(17,18)19)5-6-14(21)23/h3-8,10,15H,9H2,1-2H3,(H,20,22)
InChIKeyCIBJNSMVBFDOMI-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.44
Rot. Bonds5

About N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 46678729) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID46678729
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1cccs1
InChIInChI=1S/C16H17F3N2O2S/c1-10(2)15(12-4-3-7-24-12)20-13(22)9-21-8-11(16(17,18)19)5-6-14(21)23/h3-8,10,15H,9H2,1-2H3,(H,20,22)
InChIKeyCIBJNSMVBFDOMI-UHFFFAOYSA-N
XLogP3.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 46678729) is N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CIBJNSMVBFDOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-10(2)15(12-4-3-7-24-12)20-13(22)9-21-8-11(16(17,18)19)5-6-14(21)23/h3-8,10,15H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 358.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 46678729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).