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

C15H17NO2S — CID 23970430

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SCc2ccco2)cc1
InChIInChI=1S/C15H17NO2S/c1-11-5-7-13(8-6-11)16-15(17)12(2)19-10-14-4-3-9-18-14/h3-9,12H,10H2,1-2H3,(H,16,17)
InChIKeyJUGKURRXWYPUAU-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.85
Rot. Bonds5

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

2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide (PubChem CID 23970430) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
PubChem CID23970430
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SCc2ccco2)cc1
InChIInChI=1S/C15H17NO2S/c1-11-5-7-13(8-6-11)16-15(17)12(2)19-10-14-4-3-9-18-14/h3-9,12H,10H2,1-2H3,(H,16,17)
InChIKeyJUGKURRXWYPUAU-UHFFFAOYSA-N
XLogP3.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43082939
N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125053
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045381
2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide
CID 23914414
N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide
CID 42950256
N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 78761678
2-[1-(furan-2-yl)propan-2-ylamino]-N-(4-methylphenyl)acetamide
CID 61043887
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914
2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 112781027
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide (CID 23970430) is 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)SCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide?
The InChIKey is JUGKURRXWYPUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-5-7-13(8-6-11)16-15(17)12(2)19-10-14-4-3-9-18-14/h3-9,12H,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide?
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide has a molecular weight of 275.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 23970430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).