2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid

C29H28N2O6S — CID 25190856

IUPAC2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid
SMILESCC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2C(=O)O)C3)cc2ccccc21
InChIInChI=1S/C29H28N2O6S/c1-29(2,3)37-28(34)31-24-10-6-4-8-19(24)17-25(31)20-13-12-18-15-22(16-21(18)14-20)30-38(35,36)26-11-7-5-9-23(26)27(32)33/h4-14,17,22,30H,15-16H2,1-3H3,(H,32,33)
InChIKeyGAIAHCFLZIBWBP-UHFFFAOYSA-N
MW532.62 g/mol
LogP5.24
Rot. Bonds5

About 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid

2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid (PubChem CID 25190856) has the molecular formula C29H28N2O6S and a molecular weight of 532.62 g/mol. Its IUPAC name is 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid
PubChem CID25190856
Molecular FormulaC29H28N2O6S
Molecular Weight532.62 g/mol
Exact Mass532.17
IUPAC Name2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid
SMILESCC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2C(=O)O)C3)cc2ccccc21
InChIInChI=1S/C29H28N2O6S/c1-29(2,3)37-28(34)31-24-10-6-4-8-19(24)17-25(31)20-13-12-18-15-22(16-21(18)14-20)30-38(35,36)26-11-7-5-9-23(26)27(32)33/h4-14,17,22,30H,15-16H2,1-3H3,(H,32,33)
InChIKeyGAIAHCFLZIBWBP-UHFFFAOYSA-N
XLogP5.24
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid 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-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid (CID 25190856) is 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid is CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2C(=O)O)C3)cc2ccccc21.
What is the InChIKey of 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid?
The InChIKey is GAIAHCFLZIBWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O6S/c1-29(2,3)37-28(34)31-24-10-6-4-8-19(24)17-25(31)20-13-12-18-15-22(16-21(18)14-20)30-38(35,36)26-11-7-5-9-23(26)27(32)33/h4-14,17,22,30H,15-16H2,1-3H3,(H,32,33).
What are the key properties of 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid?
2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid has a molecular weight of 532.62 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-2,3-dihydro-1H-inden-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 25190856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).