2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide

C20H20N2O2S — CID 52906792

IUPAC2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccccc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C20H20N2O2S/c23-20(16-25-15-17-7-2-1-3-8-17)22(14-19-10-6-12-24-19)13-18-9-4-5-11-21-18/h1-12H,13-16H2
InChIKeyIVTOOCWFBZIDTL-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.14
Rot. Bonds8

About 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide

2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 52906792) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID52906792
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccccc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C20H20N2O2S/c23-20(16-25-15-17-7-2-1-3-8-17)22(14-19-10-6-12-24-19)13-18-9-4-5-11-21-18/h1-12H,13-16H2
InChIKeyIVTOOCWFBZIDTL-UHFFFAOYSA-N
XLogP4.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide (CID 52906792) is 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CSCc1ccccc1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is IVTOOCWFBZIDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-20(16-25-15-17-7-2-1-3-8-17)22(14-19-10-6-12-24-19)13-18-9-4-5-11-21-18/h1-12H,13-16H2.
What are the key properties of 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 52906792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).