2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

C31H34N4O5S — CID 74376403

About 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 74376403) has the molecular formula C31H34N4O5S and a molecular weight of 574.70 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
• PubChem CID: 74376403
• Molecular Formula: C31H34N4O5S
• Molecular Weight: 574.70 g/mol
• Exact Mass: 574.22
• IUPAC Name: 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
• SMILES: O=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1)NC1CCOc2cc(CN3CCCCC3)ccc21
• InChI: InChI=1S/C31H34N4O5S/c36-30(32-25-15-18-40-29-19-22(13-14-24(25)29)21-34-16-7-2-8-17-34)20-28-31(37)33-26-11-5-6-12-27(26)35(28)41(38,39)23-9-3-1-4-10-23/h1,3-6,9-14,19,25,28H,2,7-8,15-18,20-21H2,(H,32,36)(H,33,37)
• InChIKey: HNJNAEXTPCOYET-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.70
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?

The IUPAC name of 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 74376403) is 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

What is the SMILES notation for 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?

The canonical SMILES for 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is O=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1)NC1CCOc2cc(CN3CCCCC3)ccc21.

What is the InChIKey of 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?

The InChIKey is HNJNAEXTPCOYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O5S/c36-30(32-25-15-18-40-29-19-22(13-14-24(25)29)21-34-16-7-2-8-17-34)20-28-31(37)33-26-11-5-6-12-27(26)35(28)41(38,39)23-9-3-1-4-10-23/h1,3-6,9-14,19,25,28H,2,7-8,15-18,20-21H2,(H,32,36)(H,33,37).

What are the key properties of 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?

2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 574.70 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 74376403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).