N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

C16H15F3N2O2S — CID 47859052

IUPACN-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESCc1ccccc1OCCNC(=O)c1cccnc1SC(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c1-11-5-2-3-7-13(11)23-10-9-20-14(22)12-6-4-8-21-15(12)24-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyYVSFHQKOTHYPFJ-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 47859052) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID47859052
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESCc1ccccc1OCCNC(=O)c1cccnc1SC(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c1-11-5-2-3-7-13(11)23-10-9-20-14(22)12-6-4-8-21-15(12)24-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyYVSFHQKOTHYPFJ-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
N-[[3-(methoxymethyl)phenyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47856181
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556
4-methyl-2-[[[2-(trifluoromethylsulfanyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid
CID 120528641
N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 75444693
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
N-[2-(2-methylphenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87031750
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
2-(difluoromethylsulfanyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86929035

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (CID 47859052) is N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is Cc1ccccc1OCCNC(=O)c1cccnc1SC(F)(F)F.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is YVSFHQKOTHYPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-11-5-2-3-7-13(11)23-10-9-20-14(22)12-6-4-8-21-15(12)24-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 47859052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).