N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide

C23H22N2OS — CID 112846156

IUPACN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C23H22N2OS/c1-27-22-13-7-4-10-19(22)23(26)24-20-11-5-2-9-18(20)16-25-15-14-17-8-3-6-12-21(17)25/h2-13H,14-16H2,1H3,(H,24,26)
InChIKeyRQNJGWWGUMNNIT-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.22
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide (PubChem CID 112846156) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
PubChem CID112846156
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C23H22N2OS/c1-27-22-13-7-4-10-19(22)23(26)24-20-11-5-2-9-18(20)16-25-15-14-17-8-3-6-12-21(17)25/h2-13H,14-16H2,1H3,(H,24,26)
InChIKeyRQNJGWWGUMNNIT-UHFFFAOYSA-N
XLogP5.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide 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-ylmethyl)phenyl]-2,4-dimethoxybenzamide
CID 55816792
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 51121393
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123734
2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119853033
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60532053
5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide
CID 55895335
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
4-(diethylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55817209

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide (CID 112846156) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccccc1CN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide?
The InChIKey is RQNJGWWGUMNNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-27-22-13-7-4-10-19(22)23(26)24-20-11-5-2-9-18(20)16-25-15-14-17-8-3-6-12-21(17)25/h2-13H,14-16H2,1H3,(H,24,26).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide?
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 5.22, 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-ylmethyl)phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 112846156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).