N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide

C27H28FN3O4S — CID 4576584

About N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide

N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide (PubChem CID 4576584) has the molecular formula C27H28FN3O4S and a molecular weight of 509.60 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide
• PubChem CID: 4576584
• Molecular Formula: C27H28FN3O4S
• Molecular Weight: 509.60 g/mol
• Exact Mass: 509.18
• IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide
• SMILES: CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)S(=O)(=O)c1cccc2cccnc12
• InChI: InChI=1S/C27H28FN3O4S/c1-3-16-31(36(33,34)25-8-4-6-22-7-5-15-29-27(22)25)19-26(32)30(18-24-14-9-20(2)35-24)17-21-10-12-23(28)13-11-21/h4-15H,3,16-19H2,1-2H3
• InChIKey: IDIPYJZBZSMNOR-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.60
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide (CID 4576584) is N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide is CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)S(=O)(=O)c1cccc2cccnc12.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide?

The InChIKey is IDIPYJZBZSMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4S/c1-3-16-31(36(33,34)25-8-4-6-22-7-5-15-29-27(22)25)19-26(32)30(18-24-14-9-20(2)35-24)17-21-10-12-23(28)13-11-21/h4-15H,3,16-19H2,1-2H3.

What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide?

N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide has a molecular weight of 509.60 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 4576584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).