2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C29H36N4O6S — CID 3634835

About 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 3634835) has the molecular formula C29H36N4O6S and a molecular weight of 568.70 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• PubChem CID: 3634835
• Molecular Formula: C29H36N4O6S
• Molecular Weight: 568.70 g/mol
• Exact Mass: 568.24
• IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)cc1
• InChI: InChI=1S/C29H36N4O6S/c1-23-8-11-27(39-23)21-32(20-25-6-4-3-5-7-25)29(35)22-33(15-14-31-16-18-38-19-17-31)40(36,37)28-12-9-26(10-13-28)30-24(2)34/h3-13H,14-22H2,1-2H3,(H,30,34)
• InChIKey: ZAQUJRDJKLAUIB-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 112.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.70
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide?

The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 3634835) is 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)cc1.

What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide?

The InChIKey is ZAQUJRDJKLAUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O6S/c1-23-8-11-27(39-23)21-32(20-25-6-4-3-5-7-25)29(35)22-33(15-14-31-16-18-38-19-17-31)40(36,37)28-12-9-26(10-13-28)30-24(2)34/h3-13H,14-22H2,1-2H3,(H,30,34).

What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide?

2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 568.70 g/mol, XLogP of 3.10, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 3634835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).