3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide

C16H19NO2S — CID 34476835

IUPAC3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc([C@@H](C)NC(=O)CCc2ccco2)cc1
InChIInChI=1S/C16H19NO2S/c1-12(13-5-8-15(20-2)9-6-13)17-16(18)10-7-14-4-3-11-19-14/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyCXCATGDHCKMOGF-GFCCVEGCSA-N
MW289.40 g/mol
LogP3.81
Rot. Bonds6

About 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide

3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 34476835) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID34476835
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc([C@@H](C)NC(=O)CCc2ccco2)cc1
InChIInChI=1S/C16H19NO2S/c1-12(13-5-8-15(20-2)9-6-13)17-16(18)10-7-14-4-3-11-19-14/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyCXCATGDHCKMOGF-GFCCVEGCSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 35799098
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 38917364
6-[1-(4-methylsulfanylphenyl)ethylamino]-6-oxohexanoic acid
CID 60942052
3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 51213557
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 47097123
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide (CID 34476835) is 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide is CSc1ccc([C@@H](C)NC(=O)CCc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is CXCATGDHCKMOGF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(13-5-8-15(20-2)9-6-13)17-16(18)10-7-14-4-3-11-19-14/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide?
3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 34476835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).