2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide

C23H20N4O6S — CID 21204405

IUPAC2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H20N4O6S/c1-15-11-12-18(20(13-15)27(30)31)24-22(28)14-21-23(29)25-17-9-5-6-10-19(17)26(21)34(32,33)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyCVRBJNYYSJBUNZ-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.45
Rot. Bonds6

About 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide

2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 21204405) has the molecular formula C23H20N4O6S and a molecular weight of 480.50 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID21204405
Molecular FormulaC23H20N4O6S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC Name2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H20N4O6S/c1-15-11-12-18(20(13-15)27(30)31)24-22(28)14-21-23(29)25-17-9-5-6-10-19(17)26(21)34(32,33)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyCVRBJNYYSJBUNZ-UHFFFAOYSA-N
XLogP3.45
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(acetamidomethyl)phenyl]sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 42912899
2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 22065072
N-(2-methoxyphenyl)-2-[(2R)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1098720
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 2897802
N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 69038846
2-[(2S)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-(2-phenylacetyl)acetamide
CID 1272473
2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21235070
N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 22064876
N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 26888149
1-(benzenesulfonyl)-N-(4-methyl-2-nitrophenyl)piperidine-4-carboxamide
CID 8815408
N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 8024059
2-(3-oxo-1-thiophen-2-ylsulfonyl-2,4-dihydroquinoxalin-2-yl)-N-phenylacetamide
CID 4543533

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide (CID 21204405) is 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is CVRBJNYYSJBUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6S/c1-15-11-12-18(20(13-15)27(30)31)24-22(28)14-21-23(29)25-17-9-5-6-10-19(17)26(21)34(32,33)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 480.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 21204405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).