5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one

C28H35ClN2O4S — CID 170118896

IUPAC5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)S(=O)(=O)C1(c2ccc(OCCN3CCC4(CC3)C(=O)N(C)c3ccc(Cl)cc34)cc2)CCC1
InChIInChI=1S/C28H35ClN2O4S/c1-20(2)36(33,34)28(11-4-12-28)21-5-8-23(9-6-21)35-18-17-31-15-13-27(14-16-31)24-19-22(29)7-10-25(24)30(3)26(27)32/h5-10,19-20H,4,11-18H2,1-3H3
InChIKeyURIAKZYCBNCATR-UHFFFAOYSA-N
MW531.12 g/mol
LogP4.93
Rot. Bonds7

About 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one

5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 170118896) has the molecular formula C28H35ClN2O4S and a molecular weight of 531.12 g/mol. Its IUPAC name is 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID170118896
Molecular FormulaC28H35ClN2O4S
Molecular Weight531.12 g/mol
Exact Mass530.20
IUPAC Name5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)S(=O)(=O)C1(c2ccc(OCCN3CCC4(CC3)C(=O)N(C)c3ccc(Cl)cc34)cc2)CCC1
InChIInChI=1S/C28H35ClN2O4S/c1-20(2)36(33,34)28(11-4-12-28)21-5-8-23(9-6-21)35-18-17-31-15-13-27(14-16-31)24-19-22(29)7-10-25(24)30(3)26(27)32/h5-10,19-20H,4,11-18H2,1-3H3
InChIKeyURIAKZYCBNCATR-UHFFFAOYSA-N
XLogP4.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.12
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]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

5-chloro-1'-[2-[2-(1-methylsulfonylethyl)pyrimidin-5-yl]oxyethyl]-1-(trideuteriomethyl)spiro[indole-3,4'-piperidine]-2-one
CID 169030989
5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 170118897
CID 174102059
CID 174102059
5-chloro-1'-[2-(4-methylsulfonylphenoxy)ethyl]-1-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
CID 168997743
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
1'-[2-[4-(1-methylsulfonylcyclobutyl)phenoxy]ethyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168998121
N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
CID 170118806
2,6-difluoro-4-[2-(5-isocyano-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)ethoxy]benzoic acid
CID 177267722
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-[4-(3-methylsulfonylpropylsulfonyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996460
5-chloro-1'-[2-[3-(difluoromethyl)-4-methylsulfonylphenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one (CID 170118896) is 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one is CC(C)S(=O)(=O)C1(c2ccc(OCCN3CCC4(CC3)C(=O)N(C)c3ccc(Cl)cc34)cc2)CCC1.
What is the InChIKey of 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is URIAKZYCBNCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O4S/c1-20(2)36(33,34)28(11-4-12-28)21-5-8-23(9-6-21)35-18-17-31-15-13-27(14-16-31)24-19-22(29)7-10-25(24)30(3)26(27)32/h5-10,19-20H,4,11-18H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one?
5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 531.12 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170118896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).