2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide

C13H11Br2N3OS — CID 43302037

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(Br)cc2Br)cn1
InChIInChI=1S/C13H11Br2N3OS/c14-8-1-3-11(10(15)5-8)18-13(19)7-20-9-2-4-12(16)17-6-9/h1-6H,7H2,(H2,16,17)(H,18,19)
InChIKeyIHFBHZMYEUCIHM-UHFFFAOYSA-N
MW417.13 g/mol
LogP3.92
Rot. Bonds4

About 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide (PubChem CID 43302037) has the molecular formula C13H11Br2N3OS and a molecular weight of 417.13 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide
PubChem CID43302037
Molecular FormulaC13H11Br2N3OS
Molecular Weight417.13 g/mol
Exact Mass414.90
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(Br)cc2Br)cn1
InChIInChI=1S/C13H11Br2N3OS/c14-8-1-3-11(10(15)5-8)18-13(19)7-20-9-2-4-12(16)17-6-9/h1-6H,7H2,(H2,16,17)(H,18,19)
InChIKeyIHFBHZMYEUCIHM-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.13
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide (CID 43302037) is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide is Nc1ccc(SCC(=O)Nc2ccc(Br)cc2Br)cn1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide?
The InChIKey is IHFBHZMYEUCIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3OS/c14-8-1-3-11(10(15)5-8)18-13(19)7-20-9-2-4-12(16)17-6-9/h1-6H,7H2,(H2,16,17)(H,18,19).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide?
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide has a molecular weight of 417.13 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide is sourced from PubChem (CID 43302037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).