6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide

C30H35N3O2S — CID 168966348

About 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide

6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 168966348) has the molecular formula C30H35N3O2S and a molecular weight of 501.70 g/mol. Its IUPAC name is 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide
• PubChem CID: 168966348
• Molecular Formula: C30H35N3O2S
• Molecular Weight: 501.70 g/mol
• Exact Mass: 501.24
• IUPAC Name: 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide
• SMILES: CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccc(N3CC4(C3)CC(C)(O)C4)cc2s1
• InChI: InChI=1S/C30H35N3O2S/c1-3-4-7-22(12-21-15-31-25-9-6-5-8-24(21)25)32-28(34)27-13-20-10-11-23(14-26(20)36-27)33-18-30(19-33)16-29(2,35)17-30/h5-6,8-11,13-15,22,31,35H,3-4,7,12,16-19H2,1-2H3,(H,32,34)
• InChIKey: AIACOOIMUXJCQF-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 68.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.70
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide?

The IUPAC name of 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide (CID 168966348) is 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide?

The canonical SMILES for 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccc(N3CC4(C3)CC(C)(O)C4)cc2s1.

What is the InChIKey of 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide?

The InChIKey is AIACOOIMUXJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2S/c1-3-4-7-22(12-21-15-31-25-9-6-5-8-24(21)25)32-28(34)27-13-20-10-11-23(14-26(20)36-27)33-18-30(19-33)16-29(2,35)17-30/h5-6,8-11,13-15,22,31,35H,3-4,7,12,16-19H2,1-2H3,(H,32,34).

What are the key properties of 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide?

6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 501.70 g/mol, XLogP of 6.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 168966348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).