2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide

C24H19FN4O2S — CID 118418598

IUPAC2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CSc1nc2ccccc2nc1Cc1ccccc1)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H19FN4O2S/c25-17-10-12-18(13-11-17)26-24(31)29-22(30)15-32-23-21(14-16-6-2-1-3-7-16)27-19-8-4-5-9-20(19)28-23/h1-13H,14-15H2,(H2,26,29,30,31)
InChIKeyAIKSEEHGHQJALE-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.80
Rot. Bonds6

About 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide

2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide (PubChem CID 118418598) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
PubChem CID118418598
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC Name2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CSc1nc2ccccc2nc1Cc1ccccc1)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H19FN4O2S/c25-17-10-12-18(13-11-17)26-24(31)29-22(30)15-32-23-21(14-16-6-2-1-3-7-16)27-19-8-4-5-9-20(19)28-23/h1-13H,14-15H2,(H2,26,29,30,31)
InChIKeyAIKSEEHGHQJALE-UHFFFAOYSA-N
XLogP4.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357614
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 118418605
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 46357715
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
CID 46357628
N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 6618537
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 46357656
2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 46357700
methyl 2-[[2-(3-benzylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate
CID 46357662
2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
CID 12840972
N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357625
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide (CID 118418598) is 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide is O=C(CSc1nc2ccccc2nc1Cc1ccccc1)NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide?
The InChIKey is AIKSEEHGHQJALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c25-17-10-12-18(13-11-17)26-24(31)29-22(30)15-32-23-21(14-16-6-2-1-3-7-16)27-19-8-4-5-9-20(19)28-23/h1-13H,14-15H2,(H2,26,29,30,31).
What are the key properties of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide?
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide has a molecular weight of 446.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 118418598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).