2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide

C25H25N3O4S — CID 22065072

IUPAC2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
SMILESCc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C25H25N3O4S/c1-16-13-17(2)24(18(3)14-16)33(31,32)28-21-12-8-7-11-20(21)27-25(30)22(28)15-23(29)26-19-9-5-4-6-10-19/h4-14,22H,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyCJHAXLCAEZGTEP-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.16
Rot. Bonds5

About 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide

2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide (PubChem CID 22065072) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
PubChem CID22065072
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
SMILESCc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C25H25N3O4S/c1-16-13-17(2)24(18(3)14-16)33(31,32)28-21-12-8-7-11-20(21)27-25(30)22(28)15-23(29)26-19-9-5-4-6-10-19/h4-14,22H,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyCJHAXLCAEZGTEP-UHFFFAOYSA-N
XLogP4.16
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-(2-phenylacetyl)acetamide
CID 1272473
N-(2-methoxyphenyl)-2-[(2R)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1098720
N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 22064832
2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide
CID 4543533
N-benzyl-2-[6,7-difluoro-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 142205861
N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 69038846
2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 21204405
2-[1-[4-(acetamidomethyl)phenyl]sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 42912899
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21235070
N-(2-ethoxyphenyl)-2-[(2S)-1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 981741

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide (CID 22065072) is 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide is Cc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?
The InChIKey is CJHAXLCAEZGTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-16-13-17(2)24(18(3)14-16)33(31,32)28-21-12-8-7-11-20(21)27-25(30)22(28)15-23(29)26-19-9-5-4-6-10-19/h4-14,22H,15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?
2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide has a molecular weight of 463.56 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 22065072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).