2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C15H16N2OS — CID 2283945

IUPAC2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESO=C(Cc1ccccc1)NCCSc1ccccn1
InChIInChI=1S/C15H16N2OS/c18-14(12-13-6-2-1-3-7-13)16-10-11-19-15-8-4-5-9-17-15/h1-9H,10-12H2,(H,16,18)
InChIKeyPCSMUHXGVZNXBH-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.53
Rot. Bonds6

About 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 2283945) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID2283945
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESO=C(Cc1ccccc1)NCCSc1ccccn1
InChIInChI=1S/C15H16N2OS/c18-14(12-13-6-2-1-3-7-13)16-10-11-19-15-8-4-5-9-17-15/h1-9H,10-12H2,(H,16,18)
InChIKeyPCSMUHXGVZNXBH-UHFFFAOYSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 2283945) is 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide is O=C(Cc1ccccc1)NCCSc1ccccn1.
What is the InChIKey of 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is PCSMUHXGVZNXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-14(12-13-6-2-1-3-7-13)16-10-11-19-15-8-4-5-9-17-15/h1-9H,10-12H2,(H,16,18).
What are the key properties of 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 272.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 2283945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).