2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C18H16F3N3OS — CID 2216879

IUPAC2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c(C#N)cc1C
InChIInChI=1S/C18H16F3N3OS/c1-3-15-11(2)7-12(9-22)17(24-15)26-10-16(25)23-14-6-4-5-13(8-14)18(19,20)21/h4-8H,3,10H2,1-2H3,(H,23,25)
InChIKeyHNHYIESZFZOAHX-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.57
Rot. Bonds5

About 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2216879) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2216879
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c(C#N)cc1C
InChIInChI=1S/C18H16F3N3OS/c1-3-15-11(2)7-12(9-22)17(24-15)26-10-16(25)23-14-6-4-5-13(8-14)18(19,20)21/h4-8H,3,10H2,1-2H3,(H,23,25)
InChIKeyHNHYIESZFZOAHX-UHFFFAOYSA-N
XLogP4.57
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2216879) is 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is CCc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c(C#N)cc1C.
What is the InChIKey of 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HNHYIESZFZOAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-3-15-11(2)7-12(9-22)17(24-15)26-10-16(25)23-14-6-4-5-13(8-14)18(19,20)21/h4-8H,3,10H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2216879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).