About 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide (PubChem CID 163196424) has the molecular formula C26H35N5O5S
and a molecular weight of 529.66 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide.
Molecular Properties
| Compound Name | 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide |
|---|
| PubChem CID | 163196424 |
|---|
| Molecular Formula | C26H35N5O5S |
|---|
| Molecular Weight | 529.66 g/mol |
|---|
| Exact Mass | 529.24 |
|---|
| IUPAC Name | 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide |
|---|
| SMILES | C[C@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1 |
|---|
| InChI | InChI=1S/C26H35N5O5S/c1-19-18-31(13-15-36-19)24-4-2-3-23(27-24)28-25(33)21-6-5-20(29-37(34,35)16-14-32)17-22(21)30-11-9-26(7-8-26)10-12-30/h2-6,17,19,29,32H,7-16,18H2,1H3,(H,27,28,33)/t19-/m0/s1 |
|---|
| InChIKey | IUDCFCQNVQWCCI-IBGZPJMESA-N |
|---|
| XLogP | 2.67 |
|---|
| TPSA | 124.10 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 529.66 |
| LogP ≤ 5 | 2.67 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide (CID 163196424) is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide is C[C@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide?
The InChIKey is IUDCFCQNVQWCCI-IBGZPJMESA-N. The full InChI is InChI=1S/C26H35N5O5S/c1-19-18-31(13-15-36-19)24-4-2-3-23(27-24)28-25(33)21-6-5-20(29-37(34,35)16-14-32)17-22(21)30-11-9-26(7-8-26)10-12-30/h2-6,17,19,29,32H,7-16,18H2,1H3,(H,27,28,33)/t19-/m0/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide has a molecular weight of 529.66 g/mol, XLogP of 2.67, 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-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 163196424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).