2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide

C13H17FN2O2S — CID 49154259

IUPAC2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)SC(C)c1ccccc1F
InChIInChI=1S/C13H17FN2O2S/c1-8(10-6-4-5-7-11(10)14)19-9(2)12(17)16-13(18)15-3/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyQVEZVQZLTXQYFW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide

2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 49154259) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID49154259
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)SC(C)c1ccccc1F
InChIInChI=1S/C13H17FN2O2S/c1-8(10-6-4-5-7-11(10)14)19-9(2)12(17)16-13(18)15-3/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyQVEZVQZLTXQYFW-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide (CID 49154259) is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)SC(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide?
The InChIKey is QVEZVQZLTXQYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-8(10-6-4-5-7-11(10)14)19-9(2)12(17)16-13(18)15-3/h4-9H,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide?
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 49154259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).