3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide

C20H21N3O6S — CID 23603056

IUPAC3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C20H21N3O6S/c1-22-16-9-8-15(12-17(16)23(2)20(26)19(22)25)30(27,28)11-10-18(24)21-13-4-6-14(29-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeySUUAQSMINUTGJB-UHFFFAOYSA-N
MW431.47 g/mol
LogP1.05
Rot. Bonds6

About 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide

3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide (PubChem CID 23603056) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide
PubChem CID23603056
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C20H21N3O6S/c1-22-16-9-8-15(12-17(16)23(2)20(26)19(22)25)30(27,28)11-10-18(24)21-13-4-6-14(29-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeySUUAQSMINUTGJB-UHFFFAOYSA-N
XLogP1.05
TPSA116.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
CID 46377654
3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 23603100
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
methyl 4-[3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanoylamino]benzoate
CID 20927598
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4301032
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586254
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784560
N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938087

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide (CID 23603056) is 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is SUUAQSMINUTGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-22-16-9-8-15(12-17(16)23(2)20(26)19(22)25)30(27,28)11-10-18(24)21-13-4-6-14(29-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide?
3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 431.47 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 23603056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).