N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide

C38H46N6O7S — CID 90309649

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

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 90309649) has the molecular formula C38H46N6O7S and a molecular weight of 730.89 g/mol. Its IUPAC name is N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
• PubChem CID: 90309649
• Molecular Formula: C38H46N6O7S
• Molecular Weight: 730.89 g/mol
• Exact Mass: 730.31
• IUPAC Name: N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
• SMILES: CCCN1CCC(C2CCN(C(=O)NC3(c4cccnc4OCC)C(=O)N(S(=O)(=O)c4ccc(OC)cc4OC)c4ccc(C#N)cc43)CC2)CC1
• InChI: InChI=1S/C38H46N6O7S/c1-5-18-42-19-13-27(14-20-42)28-15-21-43(22-16-28)37(46)41-38(30-8-7-17-40-35(30)51-6-2)31-23-26(25-39)9-11-32(31)44(36(38)45)52(47,48)34-12-10-29(49-3)24-33(34)50-4/h7-12,17,23-24,27-28H,5-6,13-16,18-22H2,1-4H3,(H,41,46)
• InChIKey: DSVMDVQETXKNHO-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 154.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	730.89
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide (CID 90309649) is N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide is CCCN1CCC(C2CCN(C(=O)NC3(c4cccnc4OCC)C(=O)N(S(=O)(=O)c4ccc(OC)cc4OC)c4ccc(C#N)cc43)CC2)CC1.

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

The InChIKey is DSVMDVQETXKNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N6O7S/c1-5-18-42-19-13-27(14-20-42)28-15-21-43(22-16-28)37(46)41-38(30-8-7-17-40-35(30)51-6-2)31-23-26(25-39)9-11-32(31)44(36(38)45)52(47,48)34-12-10-29(49-3)24-33(34)50-4/h7-12,17,23-24,27-28H,5-6,13-16,18-22H2,1-4H3,(H,41,46).

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

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide has a molecular weight of 730.89 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 90309649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).