N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide

C22H28N4O4S — CID 5141839

IUPACN-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2C)Nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H28N4O4S/c1-6-26-20-10-8-16(31(29,30)25(4)5)12-18(20)23-19(22(26)28)13-21(27)24-17-9-7-14(2)11-15(17)3/h7-12,19,23H,6,13H2,1-5H3,(H,24,27)
InChIKeyTXBFVGJBXONMQM-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.73
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide

N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide (PubChem CID 5141839) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide
PubChem CID5141839
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2C)Nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H28N4O4S/c1-6-26-20-10-8-16(31(29,30)25(4)5)12-18(20)23-19(22(26)28)13-21(27)24-17-9-7-14(2)11-15(17)3/h7-12,19,23H,6,13H2,1-5H3,(H,24,27)
InChIKeyTXBFVGJBXONMQM-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide
CID 112996377
N-(2,4-dimethylphenyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetamide
CID 18085760
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
N-(2,4-dimethylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
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N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703519
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CID 7976443
N-(2,4-dimethylphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3955899
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 41385171
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51345359
N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide (CID 5141839) is N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide is CCN1C(=O)C(CC(=O)Nc2ccc(C)cc2C)Nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is TXBFVGJBXONMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-6-26-20-10-8-16(31(29,30)25(4)5)12-18(20)23-19(22(26)28)13-21(27)24-17-9-7-14(2)11-15(17)3/h7-12,19,23H,6,13H2,1-5H3,(H,24,27).
What are the key properties of N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 5141839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).