(2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide

C32H33ClF3N3O7S — CID 59867793

About (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide

(2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide (PubChem CID 59867793) has the molecular formula C32H33ClF3N3O7S and a molecular weight of 696.14 g/mol. Its IUPAC name is (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide
• PubChem CID: 59867793
• Molecular Formula: C32H33ClF3N3O7S
• Molecular Weight: 696.14 g/mol
• Exact Mass: 695.17
• IUPAC Name: (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(C)ccc3OC)(N3CCCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
• InChI: InChI=1S/C32H33ClF3N3O7S/c1-19-9-13-26(45-5)23(16-19)31(38-15-7-6-8-25(38)29(40)37(2)3)22-17-20(33)10-12-24(22)39(30(31)41)47(42,43)28-14-11-21(44-4)18-27(28)46-32(34,35)36/h9-14,16-18,25H,6-8,15H2,1-5H3/t25-,31?/m0/s1
• InChIKey: KAHMPVATJCXYFF-ZGAORZAOSA-N
• XLogP: 5.49
• TPSA: 105.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.14
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The IUPAC name of (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide (CID 59867793) is (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The canonical SMILES for (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(C)ccc3OC)(N3CCCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC(F)(F)F)c1.

What is the InChIKey of (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The InChIKey is KAHMPVATJCXYFF-ZGAORZAOSA-N. The full InChI is InChI=1S/C32H33ClF3N3O7S/c1-19-9-13-26(45-5)23(16-19)31(38-15-7-6-8-25(38)29(40)37(2)3)22-17-20(33)10-12-24(22)39(30(31)41)47(42,43)28-14-11-21(44-4)18-27(28)46-32(34,35)36/h9-14,16-18,25H,6-8,15H2,1-5H3/t25-,31?/m0/s1.

What are the key properties of (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

(2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide has a molecular weight of 696.14 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 59867793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).