N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide

C38H47N7O7S — CID 90309662

About N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide

N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide (PubChem CID 90309662) has the molecular formula C38H47N7O7S and a molecular weight of 745.90 g/mol. Its IUPAC name is N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide
• PubChem CID: 90309662
• Molecular Formula: C38H47N7O7S
• Molecular Weight: 745.90 g/mol
• Exact Mass: 745.33
• IUPAC Name: N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide
• SMILES: CCCN1CCN(C2CCN(C(=O)NC3(c4cccnc4OCC)C(=O)N(S(=O)(=O)c4ccc(OC)cc4OCC)c4ccc(C#N)cc43)CC2)CC1
• InChI: InChI=1S/C38H47N7O7S/c1-5-17-42-20-22-43(23-21-42)28-14-18-44(19-15-28)37(47)41-38(30-9-8-16-40-35(30)52-7-3)31-24-27(26-39)10-12-32(31)45(36(38)46)53(48,49)34-13-11-29(50-4)25-33(34)51-6-2/h8-13,16,24-25,28H,5-7,14-15,17-23H2,1-4H3,(H,41,47)
• InChIKey: JZFYODQXXULOLG-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 157.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.90
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide (CID 90309662) is N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide is CCCN1CCN(C2CCN(C(=O)NC3(c4cccnc4OCC)C(=O)N(S(=O)(=O)c4ccc(OC)cc4OCC)c4ccc(C#N)cc43)CC2)CC1.

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

The InChIKey is JZFYODQXXULOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N7O7S/c1-5-17-42-20-22-43(23-21-42)28-14-18-44(19-15-28)37(47)41-38(30-9-8-16-40-35(30)52-7-3)31-24-27(26-39)10-12-32(31)45(36(38)46)53(48,49)34-13-11-29(50-4)25-33(34)51-6-2/h8-13,16,24-25,28H,5-7,14-15,17-23H2,1-4H3,(H,41,47).

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

N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide has a molecular weight of 745.90 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-1-(2-ethoxy-4-methoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-propylpiperazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 90309662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).