5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C28H29F2N3O3S — CID 122545342

IUPAC5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccccc4C(F)F)ccc32)cc1
InChIInChI=1S/C28H29F2N3O3S/c1-31-37(35,36)21-11-8-19(9-12-21)17-32-27(34)33-18-28(14-4-5-15-28)24-16-20(10-13-25(24)33)22-6-2-3-7-23(22)26(29)30/h2-3,6-13,16,26,31H,4-5,14-15,17-18H2,1H3,(H,32,34)
InChIKeySOPPQJRODKKGGT-UHFFFAOYSA-N
MW525.62 g/mol
LogP5.74
Rot. Bonds6

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

5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 122545342) has the molecular formula C28H29F2N3O3S and a molecular weight of 525.62 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID122545342
Molecular FormulaC28H29F2N3O3S
Molecular Weight525.62 g/mol
Exact Mass525.19
IUPAC Name5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccccc4C(F)F)ccc32)cc1
InChIInChI=1S/C28H29F2N3O3S/c1-31-37(35,36)21-11-8-19(9-12-21)17-32-27(34)33-18-28(14-4-5-15-28)24-16-20(10-13-25(24)33)22-6-2-3-7-23(22)26(29)30/h2-3,6-13,16,26,31H,4-5,14-15,17-18H2,1H3,(H,32,34)
InChIKeySOPPQJRODKKGGT-UHFFFAOYSA-N
XLogP5.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide 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 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 122545342) is 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccccc4C(F)F)ccc32)cc1.
What is the InChIKey of 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is SOPPQJRODKKGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O3S/c1-31-37(35,36)21-11-8-19(9-12-21)17-32-27(34)33-18-28(14-4-5-15-28)24-16-20(10-13-25(24)33)22-6-2-3-7-23(22)26(29)30/h2-3,6-13,16,26,31H,4-5,14-15,17-18H2,1H3,(H,32,34).
What are the key properties of 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 525.62 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 122545342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).