2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide

C27H32N4O5S — CID 68680388

About 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide

2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 68680388) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
• PubChem CID: 68680388
• Molecular Formula: C27H32N4O5S
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.21
• IUPAC Name: 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
• SMILES: O=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CNC3CCCC3)ccc21
• InChI: InChI=1S/C27H32N4O5S/c32-26(17-24-27(33)28-13-14-31(24)37(34,35)21-8-2-1-3-9-21)30-23-12-15-36-25-16-19(10-11-22(23)25)18-29-20-6-4-5-7-20/h1-3,8-11,13-14,16,20,23-24,29H,4-7,12,15,17-18H2,(H,28,33)(H,30,32)/t23-,24-/m1/s1
• InChIKey: VQXJNQBVITYROA-DNQXCXABSA-N
• XLogP: 2.71
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?

The IUPAC name of 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 68680388) is 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide.

What is the SMILES notation for 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?

The canonical SMILES for 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide is O=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CNC3CCCC3)ccc21.

What is the InChIKey of 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?

The InChIKey is VQXJNQBVITYROA-DNQXCXABSA-N. The full InChI is InChI=1S/C27H32N4O5S/c32-26(17-24-27(33)28-13-14-31(24)37(34,35)21-8-2-1-3-9-21)30-23-12-15-36-25-16-19(10-11-22(23)25)18-29-20-6-4-5-7-20/h1-3,8-11,13-14,16,20,23-24,29H,4-7,12,15,17-18H2,(H,28,33)(H,30,32)/t23-,24-/m1/s1.

What are the key properties of 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?

2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 524.64 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 68680388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).