N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide

C18H18N4OS — CID 4054386

IUPACN-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide
SMILESCN(C)c1ccc(NC(=O)CSc2cnc3ccccc3n2)cc1
InChIInChI=1S/C18H18N4OS/c1-22(2)14-9-7-13(8-10-14)20-17(23)12-24-18-11-19-15-5-3-4-6-16(15)21-18/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyQMXCPITVDRUPLZ-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.43
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide

N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide (PubChem CID 4054386) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide
PubChem CID4054386
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide
SMILESCN(C)c1ccc(NC(=O)CSc2cnc3ccccc3n2)cc1
InChIInChI=1S/C18H18N4OS/c1-22(2)14-9-7-13(8-10-14)20-17(23)12-24-18-11-19-15-5-3-4-6-16(15)21-18/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyQMXCPITVDRUPLZ-UHFFFAOYSA-N
XLogP3.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide 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-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
N-[4-(dimethylamino)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 3903664
N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 166565316
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-[4-(dimethylamino)phenyl]-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713160
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794232
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3630417
[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 32508024

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide (CID 4054386) is N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide is CN(C)c1ccc(NC(=O)CSc2cnc3ccccc3n2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide?
The InChIKey is QMXCPITVDRUPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-22(2)14-9-7-13(8-10-14)20-17(23)12-24-18-11-19-15-5-3-4-6-16(15)21-18/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide?
N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide has a molecular weight of 338.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide is sourced from PubChem (CID 4054386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).