1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

C27H32BrN3O4S — CID 15994267

About 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (PubChem CID 15994267) has the molecular formula C27H32BrN3O4S and a molecular weight of 574.54 g/mol. Its IUPAC name is 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
• PubChem CID: 15994267
• Molecular Formula: C27H32BrN3O4S
• Molecular Weight: 574.54 g/mol
• Exact Mass: 573.13
• IUPAC Name: 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
• SMILES: CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC(C(=O)Nc4cccc5c4CCCC5)C3)c21
• InChI: InChI=1S/C27H32BrN3O4S/c1-2-25(32)31-14-12-19-15-21(28)16-24(26(19)31)36(34,35)30-13-6-9-20(17-30)27(33)29-23-11-5-8-18-7-3-4-10-22(18)23/h5,8,11,15-16,20H,2-4,6-7,9-10,12-14,17H2,1H3,(H,29,33)
• InChIKey: WLMNXFSLGBJLCC-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.54
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (CID 15994267) is 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC(C(=O)Nc4cccc5c4CCCC5)C3)c21.

What is the InChIKey of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?

The InChIKey is WLMNXFSLGBJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32BrN3O4S/c1-2-25(32)31-14-12-19-15-21(28)16-24(26(19)31)36(34,35)30-13-6-9-20(17-30)27(33)29-23-11-5-8-18-7-3-4-10-22(18)23/h5,8,11,15-16,20H,2-4,6-7,9-10,12-14,17H2,1H3,(H,29,33).

What are the key properties of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide has a molecular weight of 574.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 15994267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).