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

C24H20FN3OS — CID 46357614

IUPACN-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3OS/c1-16-6-8-17(9-7-16)14-22-24(28-21-5-3-2-4-20(21)27-22)30-15-23(29)26-19-12-10-18(25)11-13-19/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyQJOWJWRPJGRTMZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.40
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (PubChem CID 46357614) has the molecular formula C24H20FN3OS and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
PubChem CID46357614
Molecular FormulaC24H20FN3OS
Molecular Weight417.51 g/mol
Exact Mass417.13
IUPAC NameN-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3OS/c1-16-6-8-17(9-7-16)14-22-24(28-21-5-3-2-4-20(21)27-22)30-15-23(29)26-19-12-10-18(25)11-13-19/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyQJOWJWRPJGRTMZ-UHFFFAOYSA-N
XLogP5.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
CID 46357628
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 46357715
2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 46357700
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
CID 118418598
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357608
N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357625
N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 6618537
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 118418605
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 46357656
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46357720
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (CID 46357614) is N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is QJOWJWRPJGRTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3OS/c1-16-6-8-17(9-7-16)14-22-24(28-21-5-3-2-4-20(21)27-22)30-15-23(29)26-19-12-10-18(25)11-13-19/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 417.51 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46357614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).