N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide

C20H19FN4O2S — CID 22332629

IUPACN-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)Nc1ccccc1F
InChIInChI=1S/C20H19FN4O2S/c21-14-5-1-2-6-15(14)22-18(26)13-28-20-19(25-9-11-27-12-10-25)23-16-7-3-4-8-17(16)24-20/h1-8H,9-13H2,(H,22,26)
InChIKeyFBJRBHJSYXYODT-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.34
Rot. Bonds5

About N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide

N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332629) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332629
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)Nc1ccccc1F
InChIInChI=1S/C20H19FN4O2S/c21-14-5-1-2-6-15(14)22-18(26)13-28-20-19(25-9-11-27-12-10-25)23-16-7-3-4-8-17(16)24-20/h1-8H,9-13H2,(H,22,26)
InChIKeyFBJRBHJSYXYODT-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide 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 N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332629) is N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2nc1N1CCOCC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is FBJRBHJSYXYODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-14-5-1-2-6-15(14)22-18(26)13-28-20-19(25-9-11-27-12-10-25)23-16-7-3-4-8-17(16)24-20/h1-8H,9-13H2,(H,22,26).
What are the key properties of N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 398.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).