2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide

C26H36N4O4S — CID 5323021

About 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide (PubChem CID 5323021) has the molecular formula C26H36N4O4S and a molecular weight of 500.67 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
• PubChem CID: 5323021
• Molecular Formula: C26H36N4O4S
• Molecular Weight: 500.67 g/mol
• Exact Mass: 500.25
• IUPAC Name: 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
• SMILES: CCN(CCCNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)C)c1ccccc1
• InChI: InChI=1S/C26H36N4O4S/c1-5-29(22-10-7-6-8-11-22)16-9-15-27-26(32)25(19(2)3)28-35(33,34)23-12-13-24-21(18-23)14-17-30(24)20(4)31/h6-8,10-13,18-19,25,28H,5,9,14-17H2,1-4H3,(H,27,32)
• InChIKey: NUVWQRZVNCWFRP-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.67
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide?

The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide (CID 5323021) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide.

What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide?

The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide is CCN(CCCNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)C)c1ccccc1.

What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide?

The InChIKey is NUVWQRZVNCWFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S/c1-5-29(22-10-7-6-8-11-22)16-9-15-27-26(32)25(19(2)3)28-35(33,34)23-12-13-24-21(18-23)14-17-30(24)20(4)31/h6-8,10-13,18-19,25,28H,5,9,14-17H2,1-4H3,(H,27,32).

What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide?

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide has a molecular weight of 500.67 g/mol, XLogP of 2.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide is sourced from PubChem (CID 5323021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).