N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

C15H14N2O2S — CID 43082939

IUPACN-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-11(20-10-14-3-2-8-19-14)15(18)17-13-6-4-12(9-16)5-7-13/h2-8,11H,10H2,1H3,(H,17,18)
InChIKeyYJZCHTYGSMXJQM-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.41
Rot. Bonds5

About N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (PubChem CID 43082939) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
PubChem CID43082939
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-11(20-10-14-3-2-8-19-14)15(18)17-13-6-4-12(9-16)5-7-13/h2-8,11H,10H2,1H3,(H,17,18)
InChIKeyYJZCHTYGSMXJQM-UHFFFAOYSA-N
XLogP3.41
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125053
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
1-(4-cyanophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 3518746
2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045381
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 78761678
2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide
CID 23914414
N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
4-[2-(furan-2-ylmethylsulfanyl)acetyl]benzonitrile
CID 43225023
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (CID 43082939) is N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is CC(SCc1ccco1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The InChIKey is YJZCHTYGSMXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11(20-10-14-3-2-8-19-14)15(18)17-13-6-4-12(9-16)5-7-13/h2-8,11H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide has a molecular weight of 286.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 43082939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).