N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C16H15F3N2OS — CID 78796903

IUPACN-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1ccc(C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C16H15F3N2OS/c1-2-21(13-6-4-3-5-7-13)15(22)11-23-14-9-8-12(10-20-14)16(17,18)19/h3-10H,2,11H2,1H3
InChIKeyQIMHXDLXZNNMLL-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.25
Rot. Bonds5

About N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 78796903) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID78796903
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC NameN-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1ccc(C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C16H15F3N2OS/c1-2-21(13-6-4-3-5-7-13)15(22)11-23-14-9-8-12(10-20-14)16(17,18)19/h3-10H,2,11H2,1H3
InChIKeyQIMHXDLXZNNMLL-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 78796903) is N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is CCN(C(=O)CSc1ccc(C(F)(F)F)cn1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is QIMHXDLXZNNMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-2-21(13-6-4-3-5-7-13)15(22)11-23-14-9-8-12(10-20-14)16(17,18)19/h3-10H,2,11H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 340.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 78796903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).