2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide

C11H16F2N2O2S — CID 61220171

IUPAC2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1ccc(CSC(F)F)o1)C(N)=O
InChIInChI=1S/C11H16F2N2O2S/c1-11(2,9(14)16)15-5-7-3-4-8(17-7)6-18-10(12)13/h3-4,10,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyZOEXHHHPKRJEIX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.09
Rot. Bonds7

About 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide

2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide (PubChem CID 61220171) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide
PubChem CID61220171
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1ccc(CSC(F)F)o1)C(N)=O
InChIInChI=1S/C11H16F2N2O2S/c1-11(2,9(14)16)15-5-7-3-4-8(17-7)6-18-10(12)13/h3-4,10,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyZOEXHHHPKRJEIX-UHFFFAOYSA-N
XLogP2.09
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide?
The IUPAC name of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide (CID 61220171) is 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide is CC(C)(NCc1ccc(CSC(F)F)o1)C(N)=O.
What is the InChIKey of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide?
The InChIKey is ZOEXHHHPKRJEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-11(2,9(14)16)15-5-7-3-4-8(17-7)6-18-10(12)13/h3-4,10,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide?
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide has a molecular weight of 278.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide is sourced from PubChem (CID 61220171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).