5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

C24H26N2O7S — CID 4530137

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4530137) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 4530137
• Molecular Formula: C24H26N2O7S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.15
• IUPAC Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
• SMILES: COc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2C)c1
• InChI: InChI=1S/C24H26N2O7S/c1-16-20-15-19(34(28,29)26-10-8-24(9-11-26)31-12-13-32-24)6-7-21(20)33-22(16)23(27)25-17-4-3-5-18(14-17)30-2/h3-7,14-15H,8-13H2,1-2H3,(H,25,27)
• InChIKey: FJANVLNYPVVOCX-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 107.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4530137) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is COc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2C)c1.

What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is FJANVLNYPVVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-16-20-15-19(34(28,29)26-10-8-24(9-11-26)31-12-13-32-24)6-7-21(20)33-22(16)23(27)25-17-4-3-5-18(14-17)30-2/h3-7,14-15H,8-13H2,1-2H3,(H,25,27).

What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4530137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).