N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C12H15F3N2OS — CID 51072973

IUPACN,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2OS/c1-3-17(4-2)11(18)8-19-10-6-5-9(7-16-10)12(13,14)15/h5-7H,3-4,8H2,1-2H3
InChIKeyYFZLGGARKJUZMQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.06
Rot. Bonds5

About N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 51072973) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID51072973
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC NameN,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2OS/c1-3-17(4-2)11(18)8-19-10-6-5-9(7-16-10)12(13,14)15/h5-7H,3-4,8H2,1-2H3
InChIKeyYFZLGGARKJUZMQ-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 51072973) is N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is CCN(CC)C(=O)CSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is YFZLGGARKJUZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-3-17(4-2)11(18)8-19-10-6-5-9(7-16-10)12(13,14)15/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 292.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 51072973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).