2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C28H34N4O4S — CID 57397292

About 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 57397292) has the molecular formula C28H34N4O4S and a molecular weight of 522.67 g/mol. Its IUPAC name is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• PubChem CID: 57397292
• Molecular Formula: C28H34N4O4S
• Molecular Weight: 522.67 g/mol
• Exact Mass: 522.23
• IUPAC Name: 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCC4)ccc32)cc1
• InChI: InChI=1S/C28H34N4O4S/c1-20-7-10-23(11-8-20)37(35,36)32-16-13-29-28(34)26(32)18-27(33)30-25-6-4-5-22-17-21(9-12-24(22)25)19-31-14-2-3-15-31/h7-13,16-17,25-26H,2-6,14-15,18-19H2,1H3,(H,29,34)(H,30,33)/t25-,26-/m1/s1
• InChIKey: MSIPSZHIBCCSGJ-CLJLJLNGSA-N
• XLogP: 3.14
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.67
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The IUPAC name of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 57397292) is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

What is the SMILES notation for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The canonical SMILES for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCC4)ccc32)cc1.

What is the InChIKey of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The InChIKey is MSIPSZHIBCCSGJ-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H34N4O4S/c1-20-7-10-23(11-8-20)37(35,36)32-16-13-29-28(34)26(32)18-27(33)30-25-6-4-5-22-17-21(9-12-24(22)25)19-31-14-2-3-15-31/h7-13,16-17,25-26H,2-6,14-15,18-19H2,1H3,(H,29,34)(H,30,33)/t25-,26-/m1/s1.

What are the key properties of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 522.67 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 57397292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).