N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide

C29H41N5O5S — CID 176791537

About N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 176791537) has the molecular formula C29H41N5O5S and a molecular weight of 571.74 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide
• PubChem CID: 176791537
• Molecular Formula: C29H41N5O5S
• Molecular Weight: 571.74 g/mol
• Exact Mass: 571.28
• IUPAC Name: N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide
• SMILES: CN1CCc2cc(C(=O)Nc3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)cc(NC(C)(C)CO)c21
• InChI: InChI=1S/C29H41N5O5S/c1-28(2,19-36)31-24-17-21(16-20-6-11-33(3)26(20)24)27(37)30-23-5-4-22(32-40(38,39)15-14-35)18-25(23)34-12-9-29(7-8-29)10-13-34/h4-5,16-18,31-32,35-36H,6-15,19H2,1-3H3,(H,30,37)
• InChIKey: RMYBDJOEYKMLRK-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 134.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.74
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide?

The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide (CID 176791537) is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide is CN1CCc2cc(C(=O)Nc3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)cc(NC(C)(C)CO)c21.

What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide?

The InChIKey is RMYBDJOEYKMLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5O5S/c1-28(2,19-36)31-24-17-21(16-20-6-11-33(3)26(20)24)27(37)30-23-5-4-22(32-40(38,39)15-14-35)18-25(23)34-12-9-29(7-8-29)10-13-34/h4-5,16-18,31-32,35-36H,6-15,19H2,1-3H3,(H,30,37).

What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide?

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 571.74 g/mol, XLogP of 3.23, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 176791537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).