2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide

C16H17F3N2OS — CID 122226925

IUPAC2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide
SMILESCCC(C(=O)Nc1cccc2cccnc12)C(C)SC(F)(F)F
InChIInChI=1S/C16H17F3N2OS/c1-3-12(10(2)23-16(17,18)19)15(22)21-13-8-4-6-11-7-5-9-20-14(11)13/h4-10,12H,3H2,1-2H3,(H,21,22)
InChIKeyLCYDVMOKWQWIIQ-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.84
Rot. Bonds5

About 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide

2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide (PubChem CID 122226925) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide
PubChem CID122226925
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide
SMILESCCC(C(=O)Nc1cccc2cccnc12)C(C)SC(F)(F)F
InChIInChI=1S/C16H17F3N2OS/c1-3-12(10(2)23-16(17,18)19)15(22)21-13-8-4-6-11-7-5-9-20-14(11)13/h4-10,12H,3H2,1-2H3,(H,21,22)
InChIKeyLCYDVMOKWQWIIQ-UHFFFAOYSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide?
The IUPAC name of 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide (CID 122226925) is 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide.
What is the SMILES notation for 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide?
The canonical SMILES for 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide is CCC(C(=O)Nc1cccc2cccnc12)C(C)SC(F)(F)F.
What is the InChIKey of 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide?
The InChIKey is LCYDVMOKWQWIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c1-3-12(10(2)23-16(17,18)19)15(22)21-13-8-4-6-11-7-5-9-20-14(11)13/h4-10,12H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide?
2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide has a molecular weight of 342.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide is sourced from PubChem (CID 122226925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).