N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C19H22N4O5S — CID 55511967

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N(C)C)c1
InChIInChI=1S/C19H22N4O5S/c1-23(2)17(12-5-4-6-13(9-12)28-3)11-20-29(26,27)14-7-8-15-16(10-14)22-19(25)18(24)21-15/h4-10,17,20H,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyXDFNZANSOQUJDR-UHFFFAOYSA-N
MW418.48 g/mol
LogP0.81
Rot. Bonds7

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 55511967) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID55511967
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N(C)C)c1
InChIInChI=1S/C19H22N4O5S/c1-23(2)17(12-5-4-6-13(9-12)28-3)11-20-29(26,27)14-7-8-15-16(10-14)22-19(25)18(24)21-15/h4-10,17,20H,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyXDFNZANSOQUJDR-UHFFFAOYSA-N
XLogP0.81
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511899
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 51473251
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 45003249
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110419561
(E)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylethenesulfonamide
CID 51169691
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55337277
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide
CID 94018205
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55512367
N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 102697434
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 55511967) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is COc1cccc(C(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is XDFNZANSOQUJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-23(2)17(12-5-4-6-13(9-12)28-3)11-20-29(26,27)14-7-8-15-16(10-14)22-19(25)18(24)21-15/h4-10,17,20H,11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 418.48 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 55511967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).