2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide

C17H19N3O3S — CID 2549763

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H19N3O3S/c18-24(22,23)16-7-5-15(6-8-16)19-17(21)12-20-10-9-13-3-1-2-4-14(13)11-20/h1-8H,9-12H2,(H,19,21)(H2,18,22,23)
InChIKeyKMCSXFINGGBOFP-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.33
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2549763) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID2549763
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H19N3O3S/c18-24(22,23)16-7-5-15(6-8-16)19-17(21)12-20-10-9-13-3-1-2-4-14(13)11-20/h1-8H,9-12H2,(H,19,21)(H2,18,22,23)
InChIKeyKMCSXFINGGBOFP-UHFFFAOYSA-N
XLogP1.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide (CID 2549763) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is KMCSXFINGGBOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-24(22,23)16-7-5-15(6-8-16)19-17(21)12-20-10-9-13-3-1-2-4-14(13)11-20/h1-8H,9-12H2,(H,19,21)(H2,18,22,23).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2549763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).