5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide

C12H17F2NO3S — CID 115968835

IUPAC5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
SMILESCC(C)(CCO)NC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C12H17F2NO3S/c1-12(2,5-6-16)15-10(17)9-4-3-8(18-9)7-19-11(13)14/h3-4,11,16H,5-7H2,1-2H3,(H,15,17)
InChIKeyTUMSQDQYCRDWPH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.63
Rot. Bonds7

About 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide (PubChem CID 115968835) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
PubChem CID115968835
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
SMILESCC(C)(CCO)NC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C12H17F2NO3S/c1-12(2,5-6-16)15-10(17)9-4-3-8(18-9)7-19-11(13)14/h3-4,11,16H,5-7H2,1-2H3,(H,15,17)
InChIKeyTUMSQDQYCRDWPH-UHFFFAOYSA-N
XLogP2.63
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide (CID 115968835) is 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide is CC(C)(CCO)NC(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide?
The InChIKey is TUMSQDQYCRDWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-12(2,5-6-16)15-10(17)9-4-3-8(18-9)7-19-11(13)14/h3-4,11,16H,5-7H2,1-2H3,(H,15,17).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 115968835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).