3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide

C22H24BrClN2O4S — CID 46506066

About 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 46506066) has the molecular formula C22H24BrClN2O4S and a molecular weight of 527.87 g/mol. Its IUPAC name is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
• PubChem CID: 46506066
• Molecular Formula: C22H24BrClN2O4S
• Molecular Weight: 527.87 g/mol
• Exact Mass: 526.03
• IUPAC Name: 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
• SMILES: CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCc3ccc(Cl)cc3)cc21
• InChI: InChI=1S/C22H24BrClN2O4S/c1-2-22(28)26-11-8-16-13-18(23)20(14-19(16)26)31(29,30)12-9-21(27)25-10-7-15-3-5-17(24)6-4-15/h3-6,13-14H,2,7-12H2,1H3,(H,25,27)
• InChIKey: KRCRHZDIHMYDIN-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.87
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide?

The IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 46506066) is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide.

What is the SMILES notation for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide?

The canonical SMILES for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide is CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCc3ccc(Cl)cc3)cc21.

What is the InChIKey of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide?

The InChIKey is KRCRHZDIHMYDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrClN2O4S/c1-2-22(28)26-11-8-16-13-18(23)20(14-19(16)26)31(29,30)12-9-21(27)25-10-7-15-3-5-17(24)6-4-15/h3-6,13-14H,2,7-12H2,1H3,(H,25,27).

What are the key properties of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide?

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 527.87 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 46506066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).