2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide

C35H36Cl2FN3O7S — CID 46852957

IUPAC2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide
SMILESCCC(=O)N1C(=O)[C@]2(c3ccc(Cl)cc31)[C@@H](c1cc(Cl)ccc1OC(CC)(CC)C(=O)NS(C)(=O)=O)CC(=O)N[C@H]2c1cc(F)ccc1C
InChIInChI=1S/C35H36Cl2FN3O7S/c1-6-30(43)41-27-16-21(37)10-13-25(27)35(33(41)45)26(18-29(42)39-31(35)23-17-22(38)12-9-19(23)4)24-15-20(36)11-14-28(24)48-34(7-2,8-3)32(44)40-49(5,46)47/h9-17,26,31H,6-8,18H2,1-5H3,(H,39,42)(H,40,44)/t26-,31+,35-/m1/s1
InChIKeyDBXYLHDQOMQYGN-HZSMEMNTSA-N
MW732.66 g/mol
LogP6.02
Rot. Bonds9

About 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide

2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide (PubChem CID 46852957) has the molecular formula C35H36Cl2FN3O7S and a molecular weight of 732.66 g/mol. Its IUPAC name is 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide
PubChem CID46852957
Molecular FormulaC35H36Cl2FN3O7S
Molecular Weight732.66 g/mol
Exact Mass731.16
IUPAC Name2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide
SMILESCCC(=O)N1C(=O)[C@]2(c3ccc(Cl)cc31)[C@@H](c1cc(Cl)ccc1OC(CC)(CC)C(=O)NS(C)(=O)=O)CC(=O)N[C@H]2c1cc(F)ccc1C
InChIInChI=1S/C35H36Cl2FN3O7S/c1-6-30(43)41-27-16-21(37)10-13-25(27)35(33(41)45)26(18-29(42)39-31(35)23-17-22(38)12-9-19(23)4)24-15-20(36)11-14-28(24)48-34(7-2,8-3)32(44)40-49(5,46)47/h9-17,26,31H,6-8,18H2,1-5H3,(H,39,42)(H,40,44)/t26-,31+,35-/m1/s1
InChIKeyDBXYLHDQOMQYGN-HZSMEMNTSA-N
XLogP6.02
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.66
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide?
The IUPAC name of 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide (CID 46852957) is 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide?
The canonical SMILES for 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide is CCC(=O)N1C(=O)[C@]2(c3ccc(Cl)cc31)[C@@H](c1cc(Cl)ccc1OC(CC)(CC)C(=O)NS(C)(=O)=O)CC(=O)N[C@H]2c1cc(F)ccc1C.
What is the InChIKey of 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide?
The InChIKey is DBXYLHDQOMQYGN-HZSMEMNTSA-N. The full InChI is InChI=1S/C35H36Cl2FN3O7S/c1-6-30(43)41-27-16-21(37)10-13-25(27)35(33(41)45)26(18-29(42)39-31(35)23-17-22(38)12-9-19(23)4)24-15-20(36)11-14-28(24)48-34(7-2,8-3)32(44)40-49(5,46)47/h9-17,26,31H,6-8,18H2,1-5H3,(H,39,42)(H,40,44)/t26-,31+,35-/m1/s1.
What are the key properties of 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide?
2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide has a molecular weight of 732.66 g/mol, XLogP of 6.02, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxo-1-propanoylspiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 46852957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).