4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide

C22H28N4O4S — CID 24616665

IUPAC4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1
InChIInChI=1S/C22H28N4O4S/c1-15(2)25(5)31(29,30)17-12-10-16(11-13-17)23-14-20(27)26-19-9-7-6-8-18(19)24-21(28)22(26,3)4/h6-13,15,23H,14H2,1-5H3,(H,24,28)
InChIKeyZEBOABBQMQACDS-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.89
Rot. Bonds6

About 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide

4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 24616665) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID24616665
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1
InChIInChI=1S/C22H28N4O4S/c1-15(2)25(5)31(29,30)17-12-10-16(11-13-17)23-14-20(27)26-19-9-7-6-8-18(19)24-21(28)22(26,3)4/h6-13,15,23H,14H2,1-5H3,(H,24,28)
InChIKeyZEBOABBQMQACDS-UHFFFAOYSA-N
XLogP2.89
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[2-[4-(1,2,4-triazol-1-yl)anilino]acetyl]-1H-quinoxalin-2-one
CID 86928831
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 9307521
[(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 27507823
4-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 16609221
[(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 26007171
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 41001150
4-[2-(2-ethoxyphenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7840966
ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8799774
N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9053493
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 4845875
2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221828

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 24616665) is 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1.
What is the InChIKey of 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZEBOABBQMQACDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-15(2)25(5)31(29,30)17-12-10-16(11-13-17)23-14-20(27)26-19-9-7-6-8-18(19)24-21(28)22(26,3)4/h6-13,15,23H,14H2,1-5H3,(H,24,28).
What are the key properties of 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide?
4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 24616665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).