N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide

C24H30ClN3O4S — CID 170118806

IUPACN-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
SMILESCCCN(c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1)S(C)(=O)=O
InChIInChI=1S/C24H30ClN3O4S/c1-3-12-28(33(2,30)31)19-5-7-20(8-6-19)32-16-15-27-13-10-24(11-14-27)21-17-18(25)4-9-22(21)26-23(24)29/h4-9,17H,3,10-16H2,1-2H3,(H,26,29)
InChIKeyOXXRMWRCSRLGDG-UHFFFAOYSA-N
MW492.04 g/mol
LogP3.88
Rot. Bonds8

About N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide

N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide (PubChem CID 170118806) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
PubChem CID170118806
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC NameN-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
SMILESCCCN(c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1)S(C)(=O)=O
InChIInChI=1S/C24H30ClN3O4S/c1-3-12-28(33(2,30)31)19-5-7-20(8-6-19)32-16-15-27-13-10-24(11-14-27)21-17-18(25)4-9-22(21)26-23(24)29/h4-9,17H,3,10-16H2,1-2H3,(H,26,29)
InChIKeyOXXRMWRCSRLGDG-UHFFFAOYSA-N
XLogP3.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide?
The IUPAC name of N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide (CID 170118806) is N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide?
The canonical SMILES for N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide is CCCN(c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide?
The InChIKey is OXXRMWRCSRLGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-3-12-28(33(2,30)31)19-5-7-20(8-6-19)32-16-15-27-13-10-24(11-14-27)21-17-18(25)4-9-22(21)26-23(24)29/h4-9,17H,3,10-16H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide?
N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide has a molecular weight of 492.04 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide is sourced from PubChem (CID 170118806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).