2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide

C21H23N3O3S — CID 7162276

IUPAC2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C21H23N3O3S/c1-3-23(4-2)19(25)14-24-13-17(16-9-5-6-10-18(16)24)20(26)21(27)22-12-15-8-7-11-28-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,27)
InChIKeyXQOFDQVQFNFNDI-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.07
Rot. Bonds8

About 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 7162276) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
PubChem CID7162276
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C21H23N3O3S/c1-3-23(4-2)19(25)14-24-13-17(16-9-5-6-10-18(16)24)20(26)21(27)22-12-15-8-7-11-28-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,27)
InChIKeyXQOFDQVQFNFNDI-UHFFFAOYSA-N
XLogP3.07
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide (CID 7162276) is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2cccs2)c2ccccc21.
What is the InChIKey of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XQOFDQVQFNFNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-23(4-2)19(25)14-24-13-17(16-9-5-6-10-18(16)24)20(26)21(27)22-12-15-8-7-11-28-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,27).
What are the key properties of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 7162276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).