N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide

C26H30N2O4S — CID 71151688

About N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide

N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide (PubChem CID 71151688) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide
• PubChem CID: 71151688
• Molecular Formula: C26H30N2O4S
• Molecular Weight: 466.60 g/mol
• Exact Mass: 466.19
• IUPAC Name: N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide
• SMILES: CC1(C)Cc2cccc(OCCN3CC(CNS(=O)(=O)c4ccc5ccccc5c4)C3)c2O1
• InChI: InChI=1S/C26H30N2O4S/c1-26(2)15-22-8-5-9-24(25(22)32-26)31-13-12-28-17-19(18-28)16-27-33(29,30)23-11-10-20-6-3-4-7-21(20)14-23/h3-11,14,19,27H,12-13,15-18H2,1-2H3
• InChIKey: WNPUICDJFDARRD-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.60
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide?

The IUPAC name of N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide (CID 71151688) is N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide.

What is the SMILES notation for N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide?

The canonical SMILES for N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide is CC1(C)Cc2cccc(OCCN3CC(CNS(=O)(=O)c4ccc5ccccc5c4)C3)c2O1.

What is the InChIKey of N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide?

The InChIKey is WNPUICDJFDARRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-26(2)15-22-8-5-9-24(25(22)32-26)31-13-12-28-17-19(18-28)16-27-33(29,30)23-11-10-20-6-3-4-7-21(20)14-23/h3-11,14,19,27H,12-13,15-18H2,1-2H3.

What are the key properties of N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide?

N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide has a molecular weight of 466.60 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 71151688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).