N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide

C35H38F2N6O5S — CID 67163682

About N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide

N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide (PubChem CID 67163682) has the molecular formula C35H38F2N6O5S and a molecular weight of 692.79 g/mol. Its IUPAC name is N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
• PubChem CID: 67163682
• Molecular Formula: C35H38F2N6O5S
• Molecular Weight: 692.79 g/mol
• Exact Mass: 692.26
• IUPAC Name: N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
• SMILES: CCOc1ccccc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)cc2F)c2ccc(C#N)cc21
• InChI: InChI=1S/C35H38F2N6O5S/c1-3-40-17-19-41(20-18-40)26-13-15-42(16-14-26)34(45)39-35(27-7-5-6-8-31(27)48-4-2)28-21-24(23-38)9-11-30(28)43(33(35)44)49(46,47)32-12-10-25(36)22-29(32)37/h5-12,21-22,26H,3-4,13-20H2,1-2H3,(H,39,45)
• InChIKey: SZZQTWBSDUJDJP-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 126.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	692.79
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?

The IUPAC name of N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide (CID 67163682) is N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide is CCOc1ccccc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)cc2F)c2ccc(C#N)cc21.

What is the InChIKey of N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?

The InChIKey is SZZQTWBSDUJDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F2N6O5S/c1-3-40-17-19-41(20-18-40)26-13-15-42(16-14-26)34(45)39-35(27-7-5-6-8-31(27)48-4-2)28-21-24(23-38)9-11-30(28)43(33(35)44)49(46,47)32-12-10-25(36)22-29(32)37/h5-12,21-22,26H,3-4,13-20H2,1-2H3,(H,39,45).

What are the key properties of N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?

N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide has a molecular weight of 692.79 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 67163682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).