2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide

C30H28Cl2FN3O6S — CID 143823349

About 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide

2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide (PubChem CID 143823349) has the molecular formula C30H28Cl2FN3O6S and a molecular weight of 648.54 g/mol. Its IUPAC name is 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide.

Molecular Properties

• Compound Name: 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide
• PubChem CID: 143823349
• Molecular Formula: C30H28Cl2FN3O6S
• Molecular Weight: 648.54 g/mol
• Exact Mass: 647.11
• IUPAC Name: 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide
• SMILES: Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)NS(C)(=O)=O)[C@@]12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C30H28Cl2FN3O6S/c1-15-5-8-18(33)13-19(15)26-30(21-9-6-17(32)12-23(21)34-28(30)39)22(14-25(37)35-26)20-11-16(31)7-10-24(20)42-29(2,3)27(38)36-43(4,40)41/h5-13,22,26H,14H2,1-4H3,(H,34,39)(H,35,37)(H,36,38)/t22?,26?,30-/m1/s1
• InChIKey: LKOHRCVPOBUWJV-JWJBQAENSA-N
• XLogP: 4.91
• TPSA: 130.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	648.54
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide?

The IUPAC name of 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide (CID 143823349) is 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide.

What is the SMILES notation for 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide?

The canonical SMILES for 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide is Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)NS(C)(=O)=O)[C@@]12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide?

The InChIKey is LKOHRCVPOBUWJV-JWJBQAENSA-N. The full InChI is InChI=1S/C30H28Cl2FN3O6S/c1-15-5-8-18(33)13-19(15)26-30(21-9-6-17(32)12-23(21)34-28(30)39)22(14-25(37)35-26)20-11-16(31)7-10-24(20)42-29(2,3)27(38)36-43(4,40)41/h5-13,22,26H,14H2,1-4H3,(H,34,39)(H,35,37)(H,36,38)/t22?,26?,30-/m1/s1.

What are the key properties of 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide?

2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide has a molecular weight of 648.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide is sourced from PubChem (CID 143823349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).