3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide

C17H17Br2N3O4S2 — CID 4305243

About 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide (PubChem CID 4305243) has the molecular formula C17H17Br2N3O4S2 and a molecular weight of 551.28 g/mol. Its IUPAC name is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide
• PubChem CID: 4305243
• Molecular Formula: C17H17Br2N3O4S2
• Molecular Weight: 551.28 g/mol
• Exact Mass: 548.90
• IUPAC Name: 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide
• SMILES: CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ncc(Br)s3)c21
• InChI: InChI=1S/C17H17Br2N3O4S2/c1-2-15(24)22-5-3-10-7-11(18)8-12(16(10)22)28(25,26)6-4-14(23)21-17-20-9-13(19)27-17/h7-9H,2-6H2,1H3,(H,20,21,23)
• InChIKey: AZHFLETYYUBZRZ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 96.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.28
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide (CID 4305243) is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide.

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

The canonical SMILES for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide is CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ncc(Br)s3)c21.

What is the InChIKey of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide?

The InChIKey is AZHFLETYYUBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2N3O4S2/c1-2-15(24)22-5-3-10-7-11(18)8-12(16(10)22)28(25,26)6-4-14(23)21-17-20-9-13(19)27-17/h7-9H,2-6H2,1H3,(H,20,21,23).

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

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide has a molecular weight of 551.28 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4305243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).