5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C28H31N3O3S — CID 134549160

About 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 134549160) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

• Compound Name: 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
• PubChem CID: 134549160
• Molecular Formula: C28H31N3O3S
• Molecular Weight: 489.64 g/mol
• Exact Mass: 489.21
• IUPAC Name: 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
• SMILES: Cc1ccc(C)c(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
• InChI: InChI=1S/C28H31N3O3S/c1-19-5-6-20(2)24(15-19)22-9-12-26-25(16-22)28(13-3-4-14-28)18-31(26)27(32)30-17-21-7-10-23(11-8-21)35(29,33)34/h5-12,15-16H,3-4,13-14,17-18H2,1-2H3,(H,30,32)(H2,29,33,34)
• InChIKey: QJXCESATPQOQCB-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 92.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.64
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?

The IUPAC name of 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 134549160) is 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?

The canonical SMILES for 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is Cc1ccc(C)c(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.

What is the InChIKey of 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?

The InChIKey is QJXCESATPQOQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c1-19-5-6-20(2)24(15-19)22-9-12-26-25(16-22)28(13-3-4-14-28)18-31(26)27(32)30-17-21-7-10-23(11-8-21)35(29,33)34/h5-12,15-16H,3-4,13-14,17-18H2,1-2H3,(H,30,32)(H2,29,33,34).

What are the key properties of 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?

5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 489.64 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 134549160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).