2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide

C15H15BrN2OS — CID 2975008

IUPAC2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C15H15BrN2OS/c16-13-6-4-12(5-7-13)10-20-11-15(19)18-9-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19)
InChIKeyQLZBNQXCLBCAQQ-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.39
Rot. Bonds6

About 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2975008) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2975008
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C15H15BrN2OS/c16-13-6-4-12(5-7-13)10-20-11-15(19)18-9-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19)
InChIKeyQLZBNQXCLBCAQQ-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide (CID 2975008) is 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CSCc1ccc(Br)cc1)NCc1ccccn1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is QLZBNQXCLBCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-13-6-4-12(5-7-13)10-20-11-15(19)18-9-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19).
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 351.27 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2975008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).