2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide

C11H12F3NOS — CID 163806571

IUPAC2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(CSc1ccc(C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C11H12F3NOS/c1-7(10(15)16)6-17-9-4-2-8(3-5-9)11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16)
InChIKeyNJNZNEWSAXZNCS-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.92
Rot. Bonds4

About 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide

2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 163806571) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID163806571
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(CSc1ccc(C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C11H12F3NOS/c1-7(10(15)16)6-17-9-4-2-8(3-5-9)11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16)
InChIKeyNJNZNEWSAXZNCS-UHFFFAOYSA-N
XLogP2.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 163806571) is 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide is CC(CSc1ccc(C(F)(F)F)cc1)C(N)=O.
What is the InChIKey of 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is NJNZNEWSAXZNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-7(10(15)16)6-17-9-4-2-8(3-5-9)11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16).
What are the key properties of 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide?
2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 263.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 163806571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).