2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide

C17H16N2O2S — CID 56764986

IUPAC2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C17H16N2O2S/c1-22-15-5-3-2-4-13(15)17(21)19-12-7-6-11-8-9-18-16(20)14(11)10-12/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFPFZEUTXAJKFOE-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.95
Rot. Bonds3

About 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide

2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide (PubChem CID 56764986) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
PubChem CID56764986
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C17H16N2O2S/c1-22-15-5-3-2-4-13(15)17(21)19-12-7-6-11-8-9-18-16(20)14(11)10-12/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFPFZEUTXAJKFOE-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)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-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524778
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide
CID 90524707
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)thiophene-3-carboxamide
CID 56764977
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
CID 90524797
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide
CID 90524726
3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524781
2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
CID 86872690
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide (CID 56764986) is 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide is CSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NCC2.
What is the InChIKey of 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The InChIKey is FPFZEUTXAJKFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-22-15-5-3-2-4-13(15)17(21)19-12-7-6-11-8-9-18-16(20)14(11)10-12/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 56764986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).