1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone

C27H28N2O3S — CID 44573656

IUPAC1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C27H28N2O3S/c1-33(31,32)29-20-27(24-9-5-6-10-25(24)29)15-17-28(18-16-27)26(30)19-21-11-13-23(14-12-21)22-7-3-2-4-8-22/h2-14H,15-20H2,1H3
InChIKeyQADRXFUXEFLZSQ-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.24
Rot. Bonds4

About 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone

1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone (PubChem CID 44573656) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone
PubChem CID44573656
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C27H28N2O3S/c1-33(31,32)29-20-27(24-9-5-6-10-25(24)29)15-17-28(18-16-27)26(30)19-21-11-13-23(14-12-21)22-7-3-2-4-8-22/h2-14H,15-20H2,1H3
InChIKeyQADRXFUXEFLZSQ-UHFFFAOYSA-N
XLogP4.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone 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 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone (CID 44573656) is 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone is CS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone?
The InChIKey is QADRXFUXEFLZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-33(31,32)29-20-27(24-9-5-6-10-25(24)29)15-17-28(18-16-27)26(30)19-21-11-13-23(14-12-21)22-7-3-2-4-8-22/h2-14H,15-20H2,1H3.
What are the key properties of 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone?
1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone has a molecular weight of 460.60 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 44573656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).