N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C25H26N4O4S — CID 18004920

IUPACN-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESNS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C25H26N4O4S/c26-34(31,32)29-18-25(22-8-4-5-9-23(22)29)14-16-28(17-15-25)24(30)27-19-10-12-21(13-11-19)33-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)(H2,26,31,32)
InChIKeyRMCBIFCAUXHOHB-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.07
Rot. Bonds4

About N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 18004920) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID18004920
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESNS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C25H26N4O4S/c26-34(31,32)29-18-25(22-8-4-5-9-23(22)29)14-16-28(17-15-25)24(30)27-19-10-12-21(13-11-19)33-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)(H2,26,31,32)
InChIKeyRMCBIFCAUXHOHB-UHFFFAOYSA-N
XLogP4.07
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 18004920) is N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21.
What is the InChIKey of N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is RMCBIFCAUXHOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c26-34(31,32)29-18-25(22-8-4-5-9-23(22)29)14-16-28(17-15-25)24(30)27-19-10-12-21(13-11-19)33-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)(H2,26,31,32).
What are the key properties of N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 18004920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).