(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide

C24H28BrN3O4S — CID 98366085

About (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide

(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 98366085) has the molecular formula C24H28BrN3O4S and a molecular weight of 534.48 g/mol. Its IUPAC name is (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
• PubChem CID: 98366085
• Molecular Formula: C24H28BrN3O4S
• Molecular Weight: 534.48 g/mol
• Exact Mass: 533.10
• IUPAC Name: (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
• SMILES: CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)cc4)C3)cc21
• InChI: InChI=1S/C24H28BrN3O4S/c1-3-23(29)28-12-10-17-13-20(25)22(14-21(17)28)33(31,32)27-11-4-5-18(15-27)24(30)26-19-8-6-16(2)7-9-19/h6-9,13-14,18H,3-5,10-12,15H2,1-2H3,(H,26,30)/t18-/m1/s1
• InChIKey: CFOOQRLIXCPWTC-GOSISDBHSA-N
• XLogP: 4.10
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.48
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide (CID 98366085) is (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide is CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)cc4)C3)cc21.

What is the InChIKey of (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?

The InChIKey is CFOOQRLIXCPWTC-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28BrN3O4S/c1-3-23(29)28-12-10-17-13-20(25)22(14-21(17)28)33(31,32)27-11-4-5-18(15-27)24(30)26-19-8-6-16(2)7-9-19/h6-9,13-14,18H,3-5,10-12,15H2,1-2H3,(H,26,30)/t18-/m1/s1.

What are the key properties of (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?

(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 534.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 98366085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).