5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide

C35H42ClN5O7S — CID 67088449

About 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide

5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide (PubChem CID 67088449) has the molecular formula C35H42ClN5O7S and a molecular weight of 712.27 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide
• PubChem CID: 67088449
• Molecular Formula: C35H42ClN5O7S
• Molecular Weight: 712.27 g/mol
• Exact Mass: 711.25
• IUPAC Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide
• SMILES: CCOc1ncccc1C1(C(=O)NN2CCC(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21
• InChI: InChI=1S/C35H42ClN5O7S/c1-5-48-32-27(7-6-16-37-32)35(33(42)38-40-19-14-24(15-20-40)23-12-17-39(2)18-13-23)28-21-25(36)8-10-29(28)41(34(35)43)49(44,45)31-11-9-26(46-3)22-30(31)47-4/h6-11,16,21-24H,5,12-15,17-20H2,1-4H3,(H,38,42)
• InChIKey: WQIQCOMFBKTWQA-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 130.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	712.27
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide?

The IUPAC name of 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide (CID 67088449) is 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide.

What is the SMILES notation for 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide?

The canonical SMILES for 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide is CCOc1ncccc1C1(C(=O)NN2CCC(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21.

What is the InChIKey of 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide?

The InChIKey is WQIQCOMFBKTWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN5O7S/c1-5-48-32-27(7-6-16-37-32)35(33(42)38-40-19-14-24(15-20-40)23-12-17-39(2)18-13-23)28-21-25(36)8-10-29(28)41(34(35)43)49(44,45)31-11-9-26(46-3)22-30(31)47-4/h6-11,16,21-24H,5,12-15,17-20H2,1-4H3,(H,38,42).

What are the key properties of 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide?

5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide has a molecular weight of 712.27 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoindole-3-carboxamide is sourced from PubChem (CID 67088449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).