2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C20H17N3O3S — CID 1086373

IUPAC2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cccc(-c2ccc(C#N)c(SCC(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C20H17N3O3S/c1-25-16-5-2-4-14(10-16)18-8-7-15(11-21)20(23-18)27-13-19(24)22-12-17-6-3-9-26-17/h2-10H,12-13H2,1H3,(H,22,24)
InChIKeyGTZCJWFZGNRHKO-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.63
Rot. Bonds7

About 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1086373) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID1086373
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cccc(-c2ccc(C#N)c(SCC(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C20H17N3O3S/c1-25-16-5-2-4-14(10-16)18-8-7-15(11-21)20(23-18)27-13-19(24)22-12-17-6-3-9-26-17/h2-10H,12-13H2,1H3,(H,22,24)
InChIKeyGTZCJWFZGNRHKO-UHFFFAOYSA-N
XLogP3.63
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 1086373) is 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is COc1cccc(-c2ccc(C#N)c(SCC(=O)NCc3ccco3)n2)c1.
What is the InChIKey of 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GTZCJWFZGNRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-16-5-2-4-14(10-16)18-8-7-15(11-21)20(23-18)27-13-19(24)22-12-17-6-3-9-26-17/h2-10H,12-13H2,1H3,(H,22,24).
What are the key properties of 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1086373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).