N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide

C10H11F3N2O2S — CID 55955300

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCCn1cc(NC(=O)CSC(F)(F)F)ccc1=O
InChIInChI=1S/C10H11F3N2O2S/c1-2-15-5-7(3-4-9(15)17)14-8(16)6-18-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeySCMWXSJYMQPYCL-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.06
Rot. Bonds4

About N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide

N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55955300) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55955300
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCCn1cc(NC(=O)CSC(F)(F)F)ccc1=O
InChIInChI=1S/C10H11F3N2O2S/c1-2-15-5-7(3-4-9(15)17)14-8(16)6-18-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeySCMWXSJYMQPYCL-UHFFFAOYSA-N
XLogP2.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide (CID 55955300) is N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide is CCn1cc(NC(=O)CSC(F)(F)F)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is SCMWXSJYMQPYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-2-15-5-7(3-4-9(15)17)14-8(16)6-18-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,16).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 280.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55955300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).