N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide

C35H40N6O6S — CID 67161314

About N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide

N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide (PubChem CID 67161314) has the molecular formula C35H40N6O6S and a molecular weight of 672.81 g/mol. Its IUPAC name is N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide
• PubChem CID: 67161314
• Molecular Formula: C35H40N6O6S
• Molecular Weight: 672.81 g/mol
• Exact Mass: 672.27
• IUPAC Name: N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide
• SMILES: CCOc1ccccc1S(=O)(=O)N1C(=O)C(NC(=O)N2CCC(C3CCNCC3)CC2)(c2cccnc2OCC)c2cc(C#N)ccc21
• InChI: InChI=1S/C35H40N6O6S/c1-3-46-30-9-5-6-10-31(30)48(44,45)41-29-12-11-24(23-36)22-28(29)35(33(41)42,27-8-7-17-38-32(27)47-4-2)39-34(43)40-20-15-26(16-21-40)25-13-18-37-19-14-25/h5-12,17,22,25-26,37H,3-4,13-16,18-21H2,1-2H3,(H,39,43)
• InChIKey: ZMXZHGRDYRZELA-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 153.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	672.81
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide?

The IUPAC name of N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide (CID 67161314) is N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide?

The canonical SMILES for N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide is CCOc1ccccc1S(=O)(=O)N1C(=O)C(NC(=O)N2CCC(C3CCNCC3)CC2)(c2cccnc2OCC)c2cc(C#N)ccc21.

What is the InChIKey of N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide?

The InChIKey is ZMXZHGRDYRZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N6O6S/c1-3-46-30-9-5-6-10-31(30)48(44,45)41-29-12-11-24(23-36)22-28(29)35(33(41)42,27-8-7-17-38-32(27)47-4-2)39-34(43)40-20-15-26(16-21-40)25-13-18-37-19-14-25/h5-12,17,22,25-26,37H,3-4,13-16,18-21H2,1-2H3,(H,39,43).

What are the key properties of N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide?

N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide has a molecular weight of 672.81 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 67161314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).