N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide

C25H33N3O6S — CID 123755278

About N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide

N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide (PubChem CID 123755278) has the molecular formula C25H33N3O6S and a molecular weight of 503.62 g/mol. Its IUPAC name is N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide
• PubChem CID: 123755278
• Molecular Formula: C25H33N3O6S
• Molecular Weight: 503.62 g/mol
• Exact Mass: 503.21
• IUPAC Name: N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide
• SMILES: CC1=C(N2CCC3(CCN(CC(NS(C)(=O)=O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1
• InChI: InChI=1S/C25H33N3O6S/c1-16-13-33-15-22(16)28-11-8-25(24(28)30)6-9-27(10-7-25)12-21(26-35(3,31)32)18-4-5-19-20(17(18)2)14-34-23(19)29/h4-5,21,26H,6-15H2,1-3H3
• InChIKey: CIDVJNLZEVDAES-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide?

The IUPAC name of N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide (CID 123755278) is N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide is CC1=C(N2CCC3(CCN(CC(NS(C)(=O)=O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1.

What is the InChIKey of N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide?

The InChIKey is CIDVJNLZEVDAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6S/c1-16-13-33-15-22(16)28-11-8-25(24(28)30)6-9-27(10-7-25)12-21(26-35(3,31)32)18-4-5-19-20(17(18)2)14-34-23(19)29/h4-5,21,26H,6-15H2,1-3H3.

What are the key properties of N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide?

N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide has a molecular weight of 503.62 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-methyl-2,5-dihydrofuran-3-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 123755278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).