2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C34H43N5O8S2 — CID 4655484

About 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4655484) has the molecular formula C34H43N5O8S2 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
• PubChem CID: 4655484
• Molecular Formula: C34H43N5O8S2
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.26
• IUPAC Name: 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
• SMILES: CC(CCc1ccccc1)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C34H43N5O8S2/c1-27(7-8-28-5-3-2-4-6-28)37(25-33(40)35-29-9-13-31(14-10-29)48(42,43)38-17-21-46-22-18-38)26-34(41)36-30-11-15-32(16-12-30)49(44,45)39-19-23-47-24-20-39/h2-6,9-16,27H,7-8,17-26H2,1H3,(H,35,40)(H,36,41)
• InChIKey: ZUBIZHLVPXTGGA-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 154.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	713.88
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?

The IUPAC name of 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 4655484) is 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

What is the SMILES notation for 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?

The canonical SMILES for 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CC(CCc1ccccc1)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.

What is the InChIKey of 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?

The InChIKey is ZUBIZHLVPXTGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O8S2/c1-27(7-8-28-5-3-2-4-6-28)37(25-33(40)35-29-9-13-31(14-10-29)48(42,43)38-17-21-46-22-18-38)26-34(41)36-30-11-15-32(16-12-30)49(44,45)39-19-23-47-24-20-39/h2-6,9-16,27H,7-8,17-26H2,1H3,(H,35,40)(H,36,41).

What are the key properties of 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?

2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 713.88 g/mol, XLogP of 2.63, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4655484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).