1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C26H27N3O3S — CID 44573616

IUPAC1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H27N3O3S/c1-33(31,32)29-19-26(22-12-6-8-14-24(22)29)15-17-28(18-16-26)25(30)27-23-13-7-5-11-21(23)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyVZSBKOYYIOBSBY-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.70
Rot. Bonds3

About 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 44573616) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID44573616
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H27N3O3S/c1-33(31,32)29-19-26(22-12-6-8-14-24(22)29)15-17-28(18-16-26)25(30)27-23-13-7-5-11-21(23)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyVZSBKOYYIOBSBY-UHFFFAOYSA-N
XLogP4.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 44573616) is 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is VZSBKOYYIOBSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-33(31,32)29-19-26(22-12-6-8-14-24(22)29)15-17-28(18-16-26)25(30)27-23-13-7-5-11-21(23)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3,(H,27,30).
What are the key properties of 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44573616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).