2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide

C12H18F2N2O2S — CID 43225480

IUPAC2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C12H18F2N2O2S/c1-3-15-11(17)8(2)16-6-9-4-5-10(18-9)7-19-12(13)14/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyGBELKNWLWZESRE-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.35
Rot. Bonds8

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

2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide (PubChem CID 43225480) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide
PubChem CID43225480
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C12H18F2N2O2S/c1-3-15-11(17)8(2)16-6-9-4-5-10(18-9)7-19-12(13)14/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyGBELKNWLWZESRE-UHFFFAOYSA-N
XLogP2.35
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 43781321
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-methoxybutan-2-amine
CID 62734092
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline
CID 43764511
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 113237061
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylsulfinylethanamine
CID 113237595
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide
CID 61220171
1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43225293
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783043

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide (CID 43225480) is 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1ccc(CSC(F)F)o1.
What is the InChIKey of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide?
The InChIKey is GBELKNWLWZESRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-3-15-11(17)8(2)16-6-9-4-5-10(18-9)7-19-12(13)14/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide?
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide has a molecular weight of 292.35 g/mol, XLogP of 2.35, 8 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]-N-ethylpropanamide is sourced from PubChem (CID 43225480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).