N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide

C24H19F2N3OS — CID 15987639

IUPACN-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2F)cc1F
InChIInChI=1S/C24H19F2N3OS/c1-15-10-11-17(13-19(15)26)27-23(30)14-31-24-22(12-16-6-2-3-7-18(16)25)28-20-8-4-5-9-21(20)29-24/h2-11,13H,12,14H2,1H3,(H,27,30)
InChIKeyWWFQYPFXJSYXCI-UHFFFAOYSA-N
MW435.50 g/mol
LogP5.54
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide

N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (PubChem CID 15987639) has the molecular formula C24H19F2N3OS and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
PubChem CID15987639
Molecular FormulaC24H19F2N3OS
Molecular Weight435.50 g/mol
Exact Mass435.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2F)cc1F
InChIInChI=1S/C24H19F2N3OS/c1-15-10-11-17(13-19(15)26)27-23(30)14-31-24-22(12-16-6-2-3-7-18(16)25)28-20-8-4-5-9-21(20)29-24/h2-11,13H,12,14H2,1H3,(H,27,30)
InChIKeyWWFQYPFXJSYXCI-UHFFFAOYSA-N
XLogP5.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{2-[(3-Methylquinoxalin-2-yl)sulfanyl]acetyl}-1-phenylurea
CID 35502062
4-(4-Methyl-quinolin-2-ylsulfanylmethyl)-1H-quinolin-2-one
CID 864910
N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236
N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323047
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide
CID 15945128
2-(4-methylquinolin-2-yl)sulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 15945161
2-({3-[(2-Fluorophenyl)methyl]quinoxalin-2-YL}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 15987629
1-[4-(2-Fluorophenyl)piperazin-1-YL]-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)ethan-1-one
CID 16030273
N-Butyl-N-methyl-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030275
N-(3-Methylbutyl)-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030403
N-[(4-Methylphenyl)methyl]-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030423
N-[(2-Chlorophenyl)methyl]-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030435

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (CID 15987639) is N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2F)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is WWFQYPFXJSYXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3OS/c1-15-10-11-17(13-19(15)26)27-23(30)14-31-24-22(12-16-6-2-3-7-18(16)25)28-20-8-4-5-9-21(20)29-24/h2-11,13H,12,14H2,1H3,(H,27,30).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 435.50 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 15987639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).