2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide

C16H18N2OS — CID 3153435

IUPAC2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C16H18N2OS/c1-13(20-12-14-7-3-2-4-8-14)16(19)18-11-15-9-5-6-10-17-15/h2-10,13H,11-12H2,1H3,(H,18,19)
InChIKeyBGDWDIGSBGFSPY-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.02
Rot. Bonds6

About 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide

2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 3153435) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID3153435
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C16H18N2OS/c1-13(20-12-14-7-3-2-4-8-14)16(19)18-11-15-9-5-6-10-17-15/h2-10,13H,11-12H2,1H3,(H,18,19)
InChIKeyBGDWDIGSBGFSPY-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide (CID 3153435) is 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide is CC(SCc1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is BGDWDIGSBGFSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-13(20-12-14-7-3-2-4-8-14)16(19)18-11-15-9-5-6-10-17-15/h2-10,13H,11-12H2,1H3,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 286.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 3153435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).