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

C21H24N4O6S — CID 20876071

IUPAC2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C21H24N4O6S/c1-23(13-19(26)22-12-14-7-5-6-8-18(14)31-4)32(29,30)15-9-10-16-17(11-15)25(3)21(28)20(27)24(16)2/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyKMVVKVOJIDMWOR-UHFFFAOYSA-N
MW460.51 g/mol
LogP0.18
Rot. Bonds7

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

2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 20876071) has the molecular formula C21H24N4O6S and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID20876071
Molecular FormulaC21H24N4O6S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C21H24N4O6S/c1-23(13-19(26)22-12-14-7-5-6-8-18(14)31-4)32(29,30)15-9-10-16-17(11-15)25(3)21(28)20(27)24(16)2/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyKMVVKVOJIDMWOR-UHFFFAOYSA-N
XLogP0.18
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 20876071) is 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is KMVVKVOJIDMWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S/c1-23(13-19(26)22-12-14-7-5-6-8-18(14)31-4)32(29,30)15-9-10-16-17(11-15)25(3)21(28)20(27)24(16)2/h5-11H,12-13H2,1-4H3,(H,22,26).
What are the key properties of 2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 460.51 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20876071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).