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

C21H19ClN2OS — CID 7179316

IUPAC4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2OS/c22-17-9-7-16(8-10-17)21(25)23-14-19(20-6-3-13-26-20)24-12-11-15-4-1-2-5-18(15)24/h1-10,13,19H,11-12,14H2,(H,23,25)/t19-/m0/s1
InChIKeyOTFCQWLEOMBXFY-IBGZPJMESA-N
MW382.92 g/mol
LogP4.94
Rot. Bonds5

About 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide

4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 7179316) has the molecular formula C21H19ClN2OS and a molecular weight of 382.92 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID7179316
Molecular FormulaC21H19ClN2OS
Molecular Weight382.92 g/mol
Exact Mass382.09
IUPAC Name4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2OS/c22-17-9-7-16(8-10-17)21(25)23-14-19(20-6-3-13-26-20)24-12-11-15-4-1-2-5-18(15)24/h1-10,13,19H,11-12,14H2,(H,23,25)/t19-/m0/s1
InChIKeyOTFCQWLEOMBXFY-IBGZPJMESA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(2S)-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

N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 18577709
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-(trifluoromethyl)benzamide
CID 18577693
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 16832817
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
N'-(2-chlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 18577798
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 41181020
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7179412
N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 41181024
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 7179316) is 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is OTFCQWLEOMBXFY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19ClN2OS/c22-17-9-7-16(8-10-17)21(25)23-14-19(20-6-3-13-26-20)24-12-11-15-4-1-2-5-18(15)24/h1-10,13,19H,11-12,14H2,(H,23,25)/t19-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide?
4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 382.92 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 7179316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).