N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide

C19H19N3O3S2 — CID 3475954

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cccc3cccnc23)c1
InChIInChI=1S/C19H19N3O3S2/c1-22(2)27(24,25)16-9-4-8-15(12-16)21-18(23)13-26-17-10-3-6-14-7-5-11-20-19(14)17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyQUXRGLZOALROBT-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 3475954) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide
PubChem CID3475954
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cccc3cccnc23)c1
InChIInChI=1S/C19H19N3O3S2/c1-22(2)27(24,25)16-9-4-8-15(12-16)21-18(23)13-26-17-10-3-6-14-7-5-11-20-19(14)17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyQUXRGLZOALROBT-UHFFFAOYSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide (CID 3475954) is N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cccc3cccnc23)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is QUXRGLZOALROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-22(2)27(24,25)16-9-4-8-15(12-16)21-18(23)13-26-17-10-3-6-14-7-5-11-20-19(14)17/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 401.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 3475954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).