(2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide

C32H36ClN3O7S — CID 10211559

About (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide

(2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide (PubChem CID 10211559) has the molecular formula C32H36ClN3O7S and a molecular weight of 642.17 g/mol. Its IUPAC name is (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide
• PubChem CID: 10211559
• Molecular Formula: C32H36ClN3O7S
• Molecular Weight: 642.17 g/mol
• Exact Mass: 641.20
• IUPAC Name: (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCCC[C@H]3C(=O)N(C)C)c3cc(Cl)c(C)cc32)c(OC)c1
• InChI: InChI=1S/C32H36ClN3O7S/c1-20-17-26-23(19-24(20)33)32(22-11-7-8-13-27(22)42-5,35-16-10-9-12-25(35)30(37)34(2)3)31(38)36(26)44(39,40)29-15-14-21(41-4)18-28(29)43-6/h7-8,11,13-15,17-19,25H,9-10,12,16H2,1-6H3/t25-,32?/m0/s1
• InChIKey: MOHFSJFFLUAPGV-HKIGIVDHSA-N
• XLogP: 4.60
• TPSA: 105.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	642.17
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The IUPAC name of (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide (CID 10211559) is (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The canonical SMILES for (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCCC[C@H]3C(=O)N(C)C)c3cc(Cl)c(C)cc32)c(OC)c1.

What is the InChIKey of (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

The InChIKey is MOHFSJFFLUAPGV-HKIGIVDHSA-N. The full InChI is InChI=1S/C32H36ClN3O7S/c1-20-17-26-23(19-24(20)33)32(22-11-7-8-13-27(22)42-5,35-16-10-9-12-25(35)30(37)34(2)3)31(38)36(26)44(39,40)29-15-14-21(41-4)18-28(29)43-6/h7-8,11,13-15,17-19,25H,9-10,12,16H2,1-6H3/t25-,32?/m0/s1.

What are the key properties of (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide?

(2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide has a molecular weight of 642.17 g/mol, XLogP of 4.60, 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-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 10211559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).