(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide

C26H26N4O5S — CID 92665630

About (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide

(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide (PubChem CID 92665630) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
• PubChem CID: 92665630
• Molecular Formula: C26H26N4O5S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
• SMILES: CC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
• InChI: InChI=1S/C26H26N4O5S/c1-17(31)27-20-8-10-21(11-9-20)28-26(33)24(15-18-5-3-2-4-6-18)30-36(34,35)22-12-13-23-19(16-22)7-14-25(32)29-23/h2-6,8-13,16,24,30H,7,14-15H2,1H3,(H,27,31)(H,28,33)(H,29,32)/t24-/m0/s1
• InChIKey: VSMLWJQUFJBRCN-DEOSSOPVSA-N
• XLogP: 3.06
• TPSA: 133.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?

The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide (CID 92665630) is (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide.

What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?

The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1.

What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?

The InChIKey is VSMLWJQUFJBRCN-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-17(31)27-20-8-10-21(11-9-20)28-26(33)24(15-18-5-3-2-4-6-18)30-36(34,35)22-12-13-23-19(16-22)7-14-25(32)29-23/h2-6,8-13,16,24,30H,7,14-15H2,1H3,(H,27,31)(H,28,33)(H,29,32)/t24-/m0/s1.

What are the key properties of (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?

(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 506.58 g/mol, XLogP of 3.06, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 92665630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).