2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide

C21H24N4O5S — CID 20876051

IUPAC2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1C
InChIInChI=1S/C21H24N4O5S/c1-13-7-6-8-16(14(13)2)22-19(26)12-23(3)31(29,30)15-9-10-17-18(11-15)25(5)21(28)20(27)24(17)4/h6-11H,12H2,1-5H3,(H,22,26)
InChIKeyWXZLTHYYXBGDJW-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.11
Rot. Bonds5

About 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide

2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 20876051) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID20876051
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1C
InChIInChI=1S/C21H24N4O5S/c1-13-7-6-8-16(14(13)2)22-19(26)12-23(3)31(29,30)15-9-10-17-18(11-15)25(5)21(28)20(27)24(17)4/h6-11H,12H2,1-5H3,(H,22,26)
InChIKeyWXZLTHYYXBGDJW-UHFFFAOYSA-N
XLogP1.11
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 20876051) is 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1C.
What is the InChIKey of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is WXZLTHYYXBGDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-13-7-6-8-16(14(13)2)22-19(26)12-23(3)31(29,30)15-9-10-17-18(11-15)25(5)21(28)20(27)24(17)4/h6-11H,12H2,1-5H3,(H,22,26).
What are the key properties of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 444.51 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 20876051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).