N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide

C16H19NO3S2 — CID 2823370

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NCCSCc2ccco2)c1
InChIInChI=1S/C16H19NO3S2/c1-19-13-4-2-6-15(10-13)22-12-16(18)17-7-9-21-11-14-5-3-8-20-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,17,18)
InChIKeyCDGLPVHXOWWRTK-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.43
Rot. Bonds9

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 2823370) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID2823370
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NCCSCc2ccco2)c1
InChIInChI=1S/C16H19NO3S2/c1-19-13-4-2-6-15(10-13)22-12-16(18)17-7-9-21-11-14-5-3-8-20-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,17,18)
InChIKeyCDGLPVHXOWWRTK-UHFFFAOYSA-N
XLogP3.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide (CID 2823370) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)NCCSCc2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is CDGLPVHXOWWRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-19-13-4-2-6-15(10-13)22-12-16(18)17-7-9-21-11-14-5-3-8-20-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 337.47 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 2823370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).