N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C25H21N5O2S — CID 55932182

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 55932182) has the molecular formula C25H21N5O2S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
• PubChem CID: 55932182
• Molecular Formula: C25H21N5O2S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.14
• IUPAC Name: N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
• SMILES: Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nccn1-c1ccccc1C
• InChI: InChI=1S/C25H21N5O2S/c1-17-6-3-4-8-22(17)30-13-12-28-25(30)33-16-23(31)29-21-10-9-20(14-18(21)2)32-24-19(15-26)7-5-11-27-24/h3-14H,16H2,1-2H3,(H,29,31)
• InChIKey: CKRHATCMYSHBKP-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 92.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?

The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 55932182) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?

The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nccn1-c1ccccc1C.

What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?

The InChIKey is CKRHATCMYSHBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S/c1-17-6-3-4-8-22(17)30-13-12-28-25(30)33-16-23(31)29-21-10-9-20(14-18(21)2)32-24-19(15-26)7-5-11-27-24/h3-14H,16H2,1-2H3,(H,29,31).

What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 455.54 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 55932182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).