2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide

C27H37N5O5S — CID 148907571

About 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide (PubChem CID 148907571) has the molecular formula C27H37N5O5S and a molecular weight of 543.69 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide
• PubChem CID: 148907571
• Molecular Formula: C27H37N5O5S
• Molecular Weight: 543.69 g/mol
• Exact Mass: 543.25
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide
• SMILES: Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)cc(N2CCO[C@H](C)C2)n1
• InChI: InChI=1S/C27H37N5O5S/c1-19-15-22(17-25(28-19)32-11-13-37-20(2)18-32)29-26(34)23-4-3-21(30-38(35,36)14-12-33)16-24(23)31-9-7-27(5-6-27)8-10-31/h3-4,15-17,20,30,33H,5-14,18H2,1-2H3,(H,28,29,34)/t20-/m1/s1
• InChIKey: PHZLGIXHMWRJAC-HXUWFJFHSA-N
• XLogP: 2.98
• TPSA: 124.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.69
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide (CID 148907571) is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide is Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)cc(N2CCO[C@H](C)C2)n1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide?

The InChIKey is PHZLGIXHMWRJAC-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H37N5O5S/c1-19-15-22(17-25(28-19)32-11-13-37-20(2)18-32)29-26(34)23-4-3-21(30-38(35,36)14-12-33)16-24(23)31-9-7-27(5-6-27)8-10-31/h3-4,15-17,20,30,33H,5-14,18H2,1-2H3,(H,28,29,34)/t20-/m1/s1.

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide has a molecular weight of 543.69 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-methyl-6-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]benzamide is sourced from PubChem (CID 148907571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).