3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide

C23H28N2O4S — CID 15997794

About 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide

3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 15997794) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide
• PubChem CID: 15997794
• Molecular Formula: C23H28N2O4S
• Molecular Weight: 428.55 g/mol
• Exact Mass: 428.18
• IUPAC Name: 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide
• SMILES: CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C(C)C)cc3)ccc21
• InChI: InChI=1S/C23H28N2O4S/c1-4-23(27)25-13-11-18-15-20(9-10-21(18)25)30(28,29)14-12-22(26)24-19-7-5-17(6-8-19)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,26)
• InChIKey: BMUHTLAVSJMEGN-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.55
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide (CID 15997794) is 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide.

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

The canonical SMILES for 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C(C)C)cc3)ccc21.

What is the InChIKey of 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide?

The InChIKey is BMUHTLAVSJMEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-4-23(27)25-13-11-18-15-20(9-10-21(18)25)30(28,29)14-12-22(26)24-19-7-5-17(6-8-19)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,26).

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

3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 428.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 15997794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).