N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide

C₂₂H₂₆N₂O₂S — CID 122183511

About N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide

N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide (PubChem CID 122183511) has the molecular formula C₂₂H₂₆N₂O₂S and a molecular weight of 382.53 g/mol. Its IUPAC name is N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
• PubChem CID: 122183511
• Molecular Formula: C₂₂H₂₆N₂O₂S
• Molecular Weight: 382.53 g/mol
• Exact Mass: 382.17
• IUPAC Name: N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
• SMILES: CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12
• InChI: InChI=1S/C22H26N2O2S/c1-3-5-12-24(13-6-4-2)22(26)21(25)19-17-9-7-8-10-18(17)23-20(19)16-11-14-27-15-16/h7-11,14-15,23H,3-6,12-13H2,1-2H3
• InChIKey: QDBIDTQWZDWFSS-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.53
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?

The IUPAC name of N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide (CID 122183511) is N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide.

What is the SMILES notation for N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?

The canonical SMILES for N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide is CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12.

What is the InChIKey of N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?

The InChIKey is QDBIDTQWZDWFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-3-5-12-24(13-6-4-2)22(26)21(25)19-17-9-7-8-10-18(17)23-20(19)16-11-14-27-15-16/h7-11,14-15,23H,3-6,12-13H2,1-2H3.

What are the key properties of N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?

N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide has a molecular weight of 382.53 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 122183511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122183511 — identifiers, structure, computed properties (public domain)

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