N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide

C29H37N5O5S — CID 177373043

About N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide

N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide (PubChem CID 177373043) has the molecular formula C29H37N5O5S and a molecular weight of 567.71 g/mol. Its IUPAC name is N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide.

Molecular Properties

• Compound Name: N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide
• PubChem CID: 177373043
• Molecular Formula: C29H37N5O5S
• Molecular Weight: 567.71 g/mol
• Exact Mass: 567.25
• IUPAC Name: N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide
• SMILES: O=C(Nc1cc2c(c(N3CCC4(CC4)C3)n1)OCC2)c1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2
• InChI: InChI=1S/C29H37N5O5S/c35-15-11-30-40(37,38)21-1-2-22(23(18-21)33-12-8-28(4-5-28)9-13-33)27(36)32-24-17-20-3-16-39-25(20)26(31-24)34-14-10-29(19-34)6-7-29/h1-2,17-18,30,35H,3-16,19H2,(H,31,32,36)
• InChIKey: YNXZVYZJLPCAIY-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 124.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.71
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide?

The IUPAC name of N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide (CID 177373043) is N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide.

What is the SMILES notation for N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide?

The canonical SMILES for N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide is O=C(Nc1cc2c(c(N3CCC4(CC4)C3)n1)OCC2)c1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2.

What is the InChIKey of N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide?

The InChIKey is YNXZVYZJLPCAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O5S/c35-15-11-30-40(37,38)21-1-2-22(23(18-21)33-12-8-28(4-5-28)9-13-33)27(36)32-24-17-20-3-16-39-25(20)26(31-24)34-14-10-29(19-34)6-7-29/h1-2,17-18,30,35H,3-16,19H2,(H,31,32,36).

What are the key properties of N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide?

N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide has a molecular weight of 567.71 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(5-azaspiro[2.4]heptan-5-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzamide is sourced from PubChem (CID 177373043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).