(2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide

C23H23N5OS — CID 41195598

About (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide

(2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 41195598) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
• PubChem CID: 41195598
• Molecular Formula: C23H23N5OS
• Molecular Weight: 417.54 g/mol
• Exact Mass: 417.16
• IUPAC Name: (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
• SMILES: Cc1ccc(C)c(NC(=O)[C@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c1
• InChI: InChI=1S/C23H23N5OS/c1-14-10-11-15(2)19(12-14)25-21(29)20(18-8-6-5-7-9-18)30-23-26-22-24-16(3)13-17(4)28(22)27-23/h5-13,20H,1-4H3,(H,25,29)/t20-/m1/s1
• InChIKey: SNVRFYHXGBYASO-HXUWFJFHSA-N
• XLogP: 4.83
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.54
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide?

The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide (CID 41195598) is (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide.

What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide?

The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c1.

What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide?

The InChIKey is SNVRFYHXGBYASO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-14-10-11-15(2)19(12-14)25-21(29)20(18-8-6-5-7-9-18)30-23-26-22-24-16(3)13-17(4)28(22)27-23/h5-13,20H,1-4H3,(H,25,29)/t20-/m1/s1.

What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide?

(2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 417.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 41195598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).