2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide

C15H17NO2S — CID 75520332

IUPAC2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)SCc1ccco1
InChIInChI=1S/C15H17NO2S/c1-16-15(17)14(10-12-6-3-2-4-7-12)19-11-13-8-5-9-18-13/h2-9,14H,10-11H2,1H3,(H,16,17)
InChIKeyDOWJKCPXIIWFRG-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.87
Rot. Bonds6

About 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide

2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide (PubChem CID 75520332) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
PubChem CID75520332
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)SCc1ccco1
InChIInChI=1S/C15H17NO2S/c1-16-15(17)14(10-12-6-3-2-4-7-12)19-11-13-8-5-9-18-13/h2-9,14H,10-11H2,1H3,(H,16,17)
InChIKeyDOWJKCPXIIWFRG-UHFFFAOYSA-N
XLogP2.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 124618047
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025115
2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide
CID 23914414
3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine
CID 175169618
(3S)-3-amino-1-(furan-2-ylmethylsulfanyl)-4-phenylbutan-2-one
CID 15287873
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
(2S)-N-methyl-3-phenyl-2-[[(2R)-3-phenyl-2-(2-sulfanylethylsulfanyl)propanoyl]amino]propanamide
CID 101384725
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 23548413
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809499
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide (CID 75520332) is 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)SCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide?
The InChIKey is DOWJKCPXIIWFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-16-15(17)14(10-12-6-3-2-4-7-12)19-11-13-8-5-9-18-13/h2-9,14H,10-11H2,1H3,(H,16,17).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide?
2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide has a molecular weight of 275.37 g/mol, XLogP of 2.87, 6 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-methyl-3-phenylpropanamide is sourced from PubChem (CID 75520332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).