propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate

C36H38Cl2FN3O8S — CID 75233052

IUPACpropyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
SMILESCCCOC(=O)N1C(=O)C2(c3ccc(Cl)cc31)C(c1cc(Cl)ccc1OC(CC)(CC)C(=O)NS(C)(=O)=O)CC(=O)NC2c1cc(F)ccc1C
InChIInChI=1S/C36H38Cl2FN3O8S/c1-6-15-49-34(46)42-28-17-22(38)10-13-26(28)36(33(42)45)27(19-30(43)40-31(36)24-18-23(39)12-9-20(24)4)25-16-21(37)11-14-29(25)50-35(7-2,8-3)32(44)41-51(5,47)48/h9-14,16-18,27,31H,6-8,15,19H2,1-5H3,(H,40,43)(H,41,44)
InChIKeyGBPYMHDLJRQXJH-UHFFFAOYSA-N
MW762.68 g/mol
LogP6.63
Rot. Bonds10

About propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate

propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate (PubChem CID 75233052) has the molecular formula C36H38Cl2FN3O8S and a molecular weight of 762.68 g/mol. Its IUPAC name is propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate.

Molecular Properties

Compound Namepropyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
PubChem CID75233052
Molecular FormulaC36H38Cl2FN3O8S
Molecular Weight762.68 g/mol
Exact Mass761.17
IUPAC Namepropyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
SMILESCCCOC(=O)N1C(=O)C2(c3ccc(Cl)cc31)C(c1cc(Cl)ccc1OC(CC)(CC)C(=O)NS(C)(=O)=O)CC(=O)NC2c1cc(F)ccc1C
InChIInChI=1S/C36H38Cl2FN3O8S/c1-6-15-49-34(46)42-28-17-22(38)10-13-26(28)36(33(42)45)27(19-30(43)40-31(36)24-18-23(39)12-9-20(24)4)25-16-21(37)11-14-29(25)50-35(7-2,8-3)32(44)41-51(5,47)48/h9-14,16-18,27,31H,6-8,15,19H2,1-5H3,(H,40,43)(H,41,44)
InChIKeyGBPYMHDLJRQXJH-UHFFFAOYSA-N
XLogP6.63
TPSA148.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.68
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate?
The IUPAC name of propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate (CID 75233052) is propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate.
What is the SMILES notation for propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate?
The canonical SMILES for propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate is CCCOC(=O)N1C(=O)C2(c3ccc(Cl)cc31)C(c1cc(Cl)ccc1OC(CC)(CC)C(=O)NS(C)(=O)=O)CC(=O)NC2c1cc(F)ccc1C.
What is the InChIKey of propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate?
The InChIKey is GBPYMHDLJRQXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Cl2FN3O8S/c1-6-15-49-34(46)42-28-17-22(38)10-13-26(28)36(33(42)45)27(19-30(43)40-31(36)24-18-23(39)12-9-20(24)4)25-16-21(37)11-14-29(25)50-35(7-2,8-3)32(44)41-51(5,47)48/h9-14,16-18,27,31H,6-8,15,19H2,1-5H3,(H,40,43)(H,41,44).
What are the key properties of propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate?
propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate has a molecular weight of 762.68 g/mol, XLogP of 6.63, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate is sourced from PubChem (CID 75233052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).