N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C26H29F3N2O4S — CID 4131943

About N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 4131943) has the molecular formula C26H29F3N2O4S and a molecular weight of 522.59 g/mol. Its IUPAC name is N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
• PubChem CID: 4131943
• Molecular Formula: C26H29F3N2O4S
• Molecular Weight: 522.59 g/mol
• Exact Mass: 522.18
• IUPAC Name: N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
• SMILES: Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)o1
• InChI: InChI=1S/C26H29F3N2O4S/c1-19(2)15-31(36(33,34)24-11-7-10-22(14-24)26(27,28)29)18-25(32)30(16-21-8-5-4-6-9-21)17-23-13-12-20(3)35-23/h4-14,19H,15-18H2,1-3H3
• InChIKey: WFRDQLNUAFSWPL-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 70.83 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.59
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?

The IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 4131943) is N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

What is the SMILES notation for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?

The canonical SMILES for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)o1.

What is the InChIKey of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?

The InChIKey is WFRDQLNUAFSWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N2O4S/c1-19(2)15-31(36(33,34)24-11-7-10-22(14-24)26(27,28)29)18-25(32)30(16-21-8-5-4-6-9-21)17-23-13-12-20(3)35-23/h4-14,19H,15-18H2,1-3H3.

What are the key properties of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?

N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 522.59 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 4131943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).