2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide

C23H21N3O4S — CID 653087

IUPAC2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4S/c1-16-11-13-18(14-12-16)31(29,30)26-20-10-6-5-9-19(20)25-23(28)21(26)15-22(27)24-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyMDXLDKCBVRAXLR-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.54
Rot. Bonds5

About 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide

2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide (PubChem CID 653087) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
PubChem CID653087
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4S/c1-16-11-13-18(14-12-16)31(29,30)26-20-10-6-5-9-19(20)25-23(28)21(26)15-22(27)24-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyMDXLDKCBVRAXLR-UHFFFAOYSA-N
XLogP3.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide (CID 653087) is 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide is Cc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?
The InChIKey is MDXLDKCBVRAXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-16-11-13-18(14-12-16)31(29,30)26-20-10-6-5-9-19(20)25-23(28)21(26)15-22(27)24-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?
2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide has a molecular weight of 435.51 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 653087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).