1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide

C25H30BrN3O6S — CID 15989418

About 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 15989418) has the molecular formula C25H30BrN3O6S and a molecular weight of 580.50 g/mol. Its IUPAC name is 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
• PubChem CID: 15989418
• Molecular Formula: C25H30BrN3O6S
• Molecular Weight: 580.50 g/mol
• Exact Mass: 579.10
• IUPAC Name: 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
• SMILES: CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(OC)cc4OC)C3)c21
• InChI: InChI=1S/C25H30BrN3O6S/c1-4-23(30)29-11-9-16-12-18(26)13-22(24(16)29)36(32,33)28-10-5-6-17(15-28)25(31)27-20-8-7-19(34-2)14-21(20)35-3/h7-8,12-14,17H,4-6,9-11,15H2,1-3H3,(H,27,31)
• InChIKey: QRXODKVUTUJWRR-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.50
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?

The IUPAC name of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide (CID 15989418) is 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide is CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(OC)cc4OC)C3)c21.

What is the InChIKey of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?

The InChIKey is QRXODKVUTUJWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN3O6S/c1-4-23(30)29-11-9-16-12-18(26)13-22(24(16)29)36(32,33)28-10-5-6-17(15-28)25(31)27-20-8-7-19(34-2)14-21(20)35-3/h7-8,12-14,17H,4-6,9-11,15H2,1-3H3,(H,27,31).

What are the key properties of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 580.50 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 15989418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).