5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one

C24H27ClN2O5S — CID 168997743

IUPAC5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCS(=O)(=O)c1ccc(OCCN2CCC3(CC2)C(=O)N(C2COC2)c2ccc(Cl)cc23)cc1
InChIInChI=1S/C24H27ClN2O5S/c1-33(29,30)20-5-3-19(4-6-20)32-13-12-26-10-8-24(9-11-26)21-14-17(25)2-7-22(21)27(23(24)28)18-15-31-16-18/h2-7,14,18H,8-13,15-16H2,1H3
InChIKeySNPFFZZTCCCXRQ-UHFFFAOYSA-N
MW491.01 g/mol
LogP2.90
Rot. Bonds6

About 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one

5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 168997743) has the molecular formula C24H27ClN2O5S and a molecular weight of 491.01 g/mol. Its IUPAC name is 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID168997743
Molecular FormulaC24H27ClN2O5S
Molecular Weight491.01 g/mol
Exact Mass490.13
IUPAC Name5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCS(=O)(=O)c1ccc(OCCN2CCC3(CC2)C(=O)N(C2COC2)c2ccc(Cl)cc23)cc1
InChIInChI=1S/C24H27ClN2O5S/c1-33(29,30)20-5-3-19(4-6-20)32-13-12-26-10-8-24(9-11-26)21-14-17(25)2-7-22(21)27(23(24)28)18-15-31-16-18/h2-7,14,18H,8-13,15-16H2,1H3
InChIKeySNPFFZZTCCCXRQ-UHFFFAOYSA-N
XLogP2.90
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 174102059
CID 174102059
5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one
CID 170118896
5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 170118897
5-chloro-1'-[2-[4-(3-methylsulfonylpropylsulfonyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996460
5-chloro-1'-[2-[2-(1-methylsulfonylethyl)pyrimidin-5-yl]oxyethyl]-1-(trideuteriomethyl)spiro[indole-3,4'-piperidine]-2-one
CID 169030989
N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide
CID 170068234
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
N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
CID 170118806
5-chloro-1'-[2-[3-(difluoromethyl)-4-methylsulfonylphenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997251
5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170132484
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (CID 168997743) is 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is CS(=O)(=O)c1ccc(OCCN2CCC3(CC2)C(=O)N(C2COC2)c2ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is SNPFFZZTCCCXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O5S/c1-33(29,30)20-5-3-19(4-6-20)32-13-12-26-10-8-24(9-11-26)21-14-17(25)2-7-22(21)27(23(24)28)18-15-31-16-18/h2-7,14,18H,8-13,15-16H2,1H3.
What are the key properties of 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 491.01 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168997743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).