N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide

C22H14BrN5OS2 — CID 169491165

About N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide

N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 169491165) has the molecular formula C22H14BrN5OS2 and a molecular weight of 508.43 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
• PubChem CID: 169491165
• Molecular Formula: C22H14BrN5OS2
• Molecular Weight: 508.43 g/mol
• Exact Mass: 506.98
• IUPAC Name: N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
• SMILES: N#Cc1c(-c2cccs2)cc(-c2cnccn2)nc1SCC(=O)Nc1ccc(Br)cc1
• InChI: InChI=1S/C22H14BrN5OS2/c23-14-3-5-15(6-4-14)27-21(29)13-31-22-17(11-24)16(20-2-1-9-30-20)10-18(28-22)19-12-25-7-8-26-19/h1-10,12H,13H2,(H,27,29)
• InChIKey: DYPLGYUCCGMACV-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.43
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?

The IUPAC name of N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide (CID 169491165) is N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.

What is the SMILES notation for N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?

The canonical SMILES for N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide is N#Cc1c(-c2cccs2)cc(-c2cnccn2)nc1SCC(=O)Nc1ccc(Br)cc1.

What is the InChIKey of N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?

The InChIKey is DYPLGYUCCGMACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN5OS2/c23-14-3-5-15(6-4-14)27-21(29)13-31-22-17(11-24)16(20-2-1-9-30-20)10-18(28-22)19-12-25-7-8-26-19/h1-10,12H,13H2,(H,27,29).

What are the key properties of N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?

N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 508.43 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 169491165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).