5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide

C12H17F2NO3S — CID 65112616

IUPAC5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C12H17F2NO3S/c1-3-12(2,17)7-15-10(16)9-5-4-8(18-9)6-19-11(13)14/h4-5,11,17H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyZKCQZNMCEMKDEW-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.63
Rot. Bonds7

About 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide (PubChem CID 65112616) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
PubChem CID65112616
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C12H17F2NO3S/c1-3-12(2,17)7-15-10(16)9-5-4-8(18-9)6-19-11(13)14/h4-5,11,17H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyZKCQZNMCEMKDEW-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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Related Compounds

2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
CID 115968835
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 43618801
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid
CID 43469217
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 113237061
1-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158697
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
CID 64546592
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide
CID 115668500
5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 78928214
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
CID 103812551

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide (CID 65112616) is 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide is CCC(C)(O)CNC(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide?
The InChIKey is ZKCQZNMCEMKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-3-12(2,17)7-15-10(16)9-5-4-8(18-9)6-19-11(13)14/h4-5,11,17H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)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-(2-hydroxy-2-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 65112616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).