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

C28H33N3O6S — CID 3379334

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

2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 3379334) has the molecular formula C28H33N3O6S and a molecular weight of 539.65 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• PubChem CID: 3379334
• Molecular Formula: C28H33N3O6S
• Molecular Weight: 539.65 g/mol
• Exact Mass: 539.21
• IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)CC2CCCO2)cc1
• InChI: InChI=1S/C28H33N3O6S/c1-21-10-13-26(37-21)18-30(17-23-7-4-3-5-8-23)28(33)20-31(19-25-9-6-16-36-25)38(34,35)27-14-11-24(12-15-27)29-22(2)32/h3-5,7-8,10-15,25H,6,9,16-20H2,1-2H3,(H,29,32)
• InChIKey: QYWDWIYZQYURRV-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 109.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.65
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 3379334) is 2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)CC2CCCO2)cc1.

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

The InChIKey is QYWDWIYZQYURRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O6S/c1-21-10-13-26(37-21)18-30(17-23-7-4-3-5-8-23)28(33)20-31(19-25-9-6-16-36-25)38(34,35)27-14-11-24(12-15-27)29-22(2)32/h3-5,7-8,10-15,25H,6,9,16-20H2,1-2H3,(H,29,32).

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

2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 539.65 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 3379334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).