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

C22H26N4O5S — CID 20876067

IUPAC2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c(C)c1
InChIInChI=1S/C22H26N4O5S/c1-13-9-14(2)20(15(3)10-13)23-19(27)12-24(4)32(30,31)16-7-8-17-18(11-16)26(6)22(29)21(28)25(17)5/h7-11H,12H2,1-6H3,(H,23,27)
InChIKeyWDZDXMDNQPDHDV-UHFFFAOYSA-N
MW458.54 g/mol
LogP1.42
Rot. Bonds5

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

2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 20876067) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID20876067
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c(C)c1
InChIInChI=1S/C22H26N4O5S/c1-13-9-14(2)20(15(3)10-13)23-19(27)12-24(4)32(30,31)16-7-8-17-18(11-16)26(6)22(29)21(28)25(17)5/h7-11H,12H2,1-6H3,(H,23,27)
InChIKeyWDZDXMDNQPDHDV-UHFFFAOYSA-N
XLogP1.42
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.42
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-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 20876067) is 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c(C)c1.
What is the InChIKey of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is WDZDXMDNQPDHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-13-9-14(2)20(15(3)10-13)23-19(27)12-24(4)32(30,31)16-7-8-17-18(11-16)26(6)22(29)21(28)25(17)5/h7-11H,12H2,1-6H3,(H,23,27).
What are the key properties of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 458.54 g/mol, XLogP of 1.42, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 20876067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).