2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C16H19N3OS — CID 114456579

IUPAC2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCc2cccc(N)c21)c1cccs1
InChIInChI=1S/C16H19N3OS/c1-11(14-6-3-9-21-14)18-15(20)10-19-8-7-12-4-2-5-13(17)16(12)19/h2-6,9,11H,7-8,10,17H2,1H3,(H,18,20)
InChIKeyHIOSIQXMHUFQPX-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.57
Rot. Bonds4

About 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 114456579) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID114456579
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCc2cccc(N)c21)c1cccs1
InChIInChI=1S/C16H19N3OS/c1-11(14-6-3-9-21-14)18-15(20)10-19-8-7-12-4-2-5-13(17)16(12)19/h2-6,9,11H,7-8,10,17H2,1H3,(H,18,20)
InChIKeyHIOSIQXMHUFQPX-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
CID 61489791
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 61358971
methyl 4-[[2-(7-amino-2,3-dihydroindol-1-yl)acetyl]amino]butanoate
CID 114456249
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
CID 114456658
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98553310

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 114456579) is 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN1CCc2cccc(N)c21)c1cccs1.
What is the InChIKey of 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is HIOSIQXMHUFQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(14-6-3-9-21-14)18-15(20)10-19-8-7-12-4-2-5-13(17)16(12)19/h2-6,9,11H,7-8,10,17H2,1H3,(H,18,20).
What are the key properties of 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 301.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 114456579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).