N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

C16H19NO4S — CID 78761678

IUPACN-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)SCc2ccco2)c1
InChIInChI=1S/C16H19NO4S/c1-11(22-10-13-5-4-8-21-13)16(18)17-14-9-12(19-2)6-7-15(14)20-3/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyZPNUPNNIDJMCEE-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.56
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (PubChem CID 78761678) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
PubChem CID78761678
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)SCc2ccco2)c1
InChIInChI=1S/C16H19NO4S/c1-11(22-10-13-5-4-8-21-13)16(18)17-14-9-12(19-2)6-7-15(14)20-3/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyZPNUPNNIDJMCEE-UHFFFAOYSA-N
XLogP3.56
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 86931322
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296223
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046619
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
CID 47328777
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
CID 78860894
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43082939
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (CID 78761678) is N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is COc1ccc(OC)c(NC(=O)C(C)SCc2ccco2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The InChIKey is ZPNUPNNIDJMCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11(22-10-13-5-4-8-21-13)16(18)17-14-9-12(19-2)6-7-15(14)20-3/h4-9,11H,10H2,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide has a molecular weight of 321.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 78761678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).