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

C27H32N4O4S — CID 57400696

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

N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (PubChem CID 57400696) has the molecular formula C27H32N4O4S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
• PubChem CID: 57400696
• Molecular Formula: C27H32N4O4S
• Molecular Weight: 508.64 g/mol
• Exact Mass: 508.21
• IUPAC Name: N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNC4CC4)ccc32)cc1
• InChI: InChI=1S/C27H32N4O4S/c1-18-5-10-22(11-6-18)36(34,35)31-14-13-28-27(33)25(31)16-26(32)30-24-4-2-3-20-15-19(7-12-23(20)24)17-29-21-8-9-21/h5-7,10-15,21,24-25,29H,2-4,8-9,16-17H2,1H3,(H,28,33)(H,30,32)/t24-,25-/m1/s1
• InChIKey: USQATXCJYGCZGR-JWQCQUIFSA-N
• XLogP: 2.79
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.64
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (CID 57400696) is N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.

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

The canonical SMILES for N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNC4CC4)ccc32)cc1.

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

The InChIKey is USQATXCJYGCZGR-JWQCQUIFSA-N. The full InChI is InChI=1S/C27H32N4O4S/c1-18-5-10-22(11-6-18)36(34,35)31-14-13-28-27(33)25(31)16-26(32)30-24-4-2-3-20-15-19(7-12-23(20)24)17-29-21-8-9-21/h5-7,10-15,21,24-25,29H,2-4,8-9,16-17H2,1H3,(H,28,33)(H,30,32)/t24-,25-/m1/s1.

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

N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide has a molecular weight of 508.64 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-6-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is sourced from PubChem (CID 57400696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).