2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide

C26H28N4O4S — CID 20902032

About 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide (PubChem CID 20902032) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide.

Molecular Properties

• Compound Name: 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide
• PubChem CID: 20902032
• Molecular Formula: C26H28N4O4S
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.18
• IUPAC Name: 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3ncccc3C)cc2CC1C
• InChI: InChI=1S/C26H28N4O4S/c1-17-8-7-13-27-25(17)28-26(32)23(15-20-9-5-4-6-10-20)29-35(33,34)22-11-12-24-21(16-22)14-18(2)30(24)19(3)31/h4-13,16,18,23,29H,14-15H2,1-3H3,(H,27,28,32)
• InChIKey: FVPYWDZHSIYKPI-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide?

The IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide (CID 20902032) is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide.

What is the SMILES notation for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide?

The canonical SMILES for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide is CC(=O)N1c2ccc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3ncccc3C)cc2CC1C.

What is the InChIKey of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide?

The InChIKey is FVPYWDZHSIYKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-17-8-7-13-27-25(17)28-26(32)23(15-20-9-5-4-6-10-20)29-35(33,34)22-11-12-24-21(16-22)14-18(2)30(24)19(3)31/h4-13,16,18,23,29H,14-15H2,1-3H3,(H,27,28,32).

What are the key properties of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide?

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide has a molecular weight of 492.60 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 20902032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).