N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide

C31H43N5O5S — CID 176792034

About N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 176792034) has the molecular formula C31H43N5O5S and a molecular weight of 597.78 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 176792034
• Molecular Formula: C31H43N5O5S
• Molecular Weight: 597.78 g/mol
• Exact Mass: 597.30
• IUPAC Name: N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide
• SMILES: C[C@H](CO)NS(=O)(=O)c1ccc(NC(=O)c2cc3c(c(N4CCO[C@H](C)C4)c2)N(C)CC3)c(N2CCC3(CC2)CC3)c1
• InChI: InChI=1S/C31H43N5O5S/c1-21(20-37)33-42(39,40)25-4-5-26(27(18-25)35-12-9-31(7-8-31)10-13-35)32-30(38)24-16-23-6-11-34(3)29(23)28(17-24)36-14-15-41-22(2)19-36/h4-5,16-18,21-22,33,37H,6-15,19-20H2,1-3H3,(H,32,38)/t21-,22-/m1/s1
• InChIKey: OCXYJWRKLDBCOC-FGZHOGPDSA-N
• XLogP: 3.20
• TPSA: 114.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.78
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide?

The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide (CID 176792034) is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide is C[C@H](CO)NS(=O)(=O)c1ccc(NC(=O)c2cc3c(c(N4CCO[C@H](C)C4)c2)N(C)CC3)c(N2CCC3(CC2)CC3)c1.

What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide?

The InChIKey is OCXYJWRKLDBCOC-FGZHOGPDSA-N. The full InChI is InChI=1S/C31H43N5O5S/c1-21(20-37)33-42(39,40)25-4-5-26(27(18-25)35-12-9-31(7-8-31)10-13-35)32-30(38)24-16-23-6-11-34(3)29(23)28(17-24)36-14-15-41-22(2)19-36/h4-5,16-18,21-22,33,37H,6-15,19-20H2,1-3H3,(H,32,38)/t21-,22-/m1/s1.

What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide?

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 597.78 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 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-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 176792034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).