N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide

C21H20N2OS — CID 18577709

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NCC(c1cccs1)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H20N2OS/c24-21(17-8-2-1-3-9-17)22-15-19(20-11-6-14-25-20)23-13-12-16-7-4-5-10-18(16)23/h1-11,14,19H,12-13,15H2,(H,22,24)
InChIKeyVLOKMONUPUXPIS-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide

N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 18577709) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID18577709
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NCC(c1cccs1)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H20N2OS/c24-21(17-8-2-1-3-9-17)22-15-19(20-11-6-14-25-20)23-13-12-16-7-4-5-10-18(16)23/h1-11,14,19H,12-13,15H2,(H,22,24)
InChIKeyVLOKMONUPUXPIS-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide 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

4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 7179316
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180956
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180955
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 16832817
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 18577693
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzamide
CID 7526057
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7179412
1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
CID 7179244
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 7179568
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide
CID 8613496
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 18577709) is N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide is O=C(NCC(c1cccs1)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is VLOKMONUPUXPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c24-21(17-8-2-1-3-9-17)22-15-19(20-11-6-14-25-20)23-13-12-16-7-4-5-10-18(16)23/h1-11,14,19H,12-13,15H2,(H,22,24).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide?
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 348.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 18577709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).