(2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide

C33H32ClF6N3O7S — CID 59867899

About (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide

(2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide (PubChem CID 59867899) has the molecular formula C33H32ClF6N3O7S and a molecular weight of 764.14 g/mol. Its IUPAC name is (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide
• PubChem CID: 59867899
• Molecular Formula: C33H32ClF6N3O7S
• Molecular Weight: 764.14 g/mol
• Exact Mass: 763.16
• IUPAC Name: (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide
• SMILES: COc1ccccc1C1(N2CCCC[C@H]2C(=O)N(C)C)C(=O)N(S(=O)(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c2ccc(Cl)cc21
• InChI: InChI=1S/C33H32ClF6N3O7S/c1-41(2)29(44)25-9-6-7-15-42(25)33(22-8-4-5-10-26(22)48-3)23-16-20(34)11-13-24(23)43(30(33)45)51(46,47)28-17-21(49-18-31(35,36)37)12-14-27(28)50-19-32(38,39)40/h4-5,8,10-14,16-17,25H,6-7,9,15,18-19H2,1-3H3/t25-,33?/m0/s1
• InChIKey: ITGNCFPTCRLLAQ-CPMFFWQLSA-N
• XLogP: 6.15
• TPSA: 105.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.14
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The IUPAC name of (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide (CID 59867899) is (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The canonical SMILES for (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide is COc1ccccc1C1(N2CCCC[C@H]2C(=O)N(C)C)C(=O)N(S(=O)(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c2ccc(Cl)cc21.

What is the InChIKey of (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The InChIKey is ITGNCFPTCRLLAQ-CPMFFWQLSA-N. The full InChI is InChI=1S/C33H32ClF6N3O7S/c1-41(2)29(44)25-9-6-7-15-42(25)33(22-8-4-5-10-26(22)48-3)23-16-20(34)11-13-24(23)43(30(33)45)51(46,47)28-17-21(49-18-31(35,36)37)12-14-27(28)50-19-32(38,39)40/h4-5,8,10-14,16-17,25H,6-7,9,15,18-19H2,1-3H3/t25-,33?/m0/s1.

What are the key properties of (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

(2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide has a molecular weight of 764.14 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 59867899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).