2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide

C19H19N3O4S — CID 20765784

IUPAC2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)c(NS(=O)(=O)Cc2ccccc2)cc2ccccc21
InChIInChI=1S/C19H19N3O4S/c1-20-18(23)12-22-17-10-6-5-9-15(17)11-16(19(22)24)21-27(25,26)13-14-7-3-2-4-8-14/h2-11,21H,12-13H2,1H3,(H,20,23)
InChIKeyGGLSPPKFTGRMAA-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.69
Rot. Bonds6

About 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide

2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide (PubChem CID 20765784) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide
PubChem CID20765784
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)c(NS(=O)(=O)Cc2ccccc2)cc2ccccc21
InChIInChI=1S/C19H19N3O4S/c1-20-18(23)12-22-17-10-6-5-9-15(17)11-16(19(22)24)21-27(25,26)13-14-7-3-2-4-8-14/h2-11,21H,12-13H2,1H3,(H,20,23)
InChIKeyGGLSPPKFTGRMAA-UHFFFAOYSA-N
XLogP1.69
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide 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-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide (CID 20765784) is 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)c(NS(=O)(=O)Cc2ccccc2)cc2ccccc21.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide?
The InChIKey is GGLSPPKFTGRMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-20-18(23)12-22-17-10-6-5-9-15(17)11-16(19(22)24)21-27(25,26)13-14-7-3-2-4-8-14/h2-11,21H,12-13H2,1H3,(H,20,23).
What are the key properties of 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide?
2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide has a molecular weight of 385.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-2-oxoquinolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 20765784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).