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

C24H28ClN3O5S — CID 170068234

IUPACN-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide
SMILESCN(C=O)CCS(=O)(=O)c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C24H28ClN3O5S/c1-27(17-29)13-15-34(31,32)20-5-3-19(4-6-20)33-14-12-28-10-8-24(9-11-28)21-16-18(25)2-7-22(21)26-23(24)30/h2-7,16-17H,8-15H2,1H3,(H,26,30)
InChIKeyGZPLATMDHXNOEI-UHFFFAOYSA-N
MW506.02 g/mol
LogP2.57
Rot. Bonds9

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

N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide (PubChem CID 170068234) has the molecular formula C24H28ClN3O5S and a molecular weight of 506.02 g/mol. Its IUPAC name is N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide
PubChem CID170068234
Molecular FormulaC24H28ClN3O5S
Molecular Weight506.02 g/mol
Exact Mass505.14
IUPAC NameN-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide
SMILESCN(C=O)CCS(=O)(=O)c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C24H28ClN3O5S/c1-27(17-29)13-15-34(31,32)20-5-3-19(4-6-20)33-14-12-28-10-8-24(9-11-28)21-16-18(25)2-7-22(21)26-23(24)30/h2-7,16-17H,8-15H2,1H3,(H,26,30)
InChIKeyGZPLATMDHXNOEI-UHFFFAOYSA-N
XLogP2.57
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.02
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1'-[2-[4-(3-methylsulfonylpropylsulfonyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996460
N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
CID 170118806
5-chloro-1'-[2-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997481
5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170068892
5-chloro-1'-[2-[3-(difluoromethyl)-4-methylsulfonylphenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997251
5-chloro-1'-[2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170118776
5-chloro-1'-[2-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
5-chloro-1'-[2-[3-[(1S)-1,2-difluoroethyl]-4-methylsulfonylphenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168998491
5-chloro-1'-[2-[2-(2-methylsulfonylbut-3-en-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170064712
5-chloro-1'-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996371
butane;N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methylphenyl]acetamide
CID 168997734
5-chloro-1'-[2-[2-(2-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997807

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide?
The IUPAC name of N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide (CID 170068234) is N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide.
What is the SMILES notation for N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide?
The canonical SMILES for N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide is CN(C=O)CCS(=O)(=O)c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1.
What is the InChIKey of N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide?
The InChIKey is GZPLATMDHXNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5S/c1-27(17-29)13-15-34(31,32)20-5-3-19(4-6-20)33-14-12-28-10-8-24(9-11-28)21-16-18(25)2-7-22(21)26-23(24)30/h2-7,16-17H,8-15H2,1H3,(H,26,30).
What are the key properties of N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide?
N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide has a molecular weight of 506.02 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide is sourced from PubChem (CID 170068234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).