[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C23H24N2O8S — CID 4192758

IUPAC[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C23H24N2O8S/c1-14-5-7-17(34(29,30)25(3)4)11-19(14)24-21(26)12-32-23(28)13-31-16-6-8-18-15(2)9-22(27)33-20(18)10-16/h5-11H,12-13H2,1-4H3,(H,24,26)
InChIKeyJNEWEARURLSUPE-UHFFFAOYSA-N
MW488.52 g/mol
LogP2.22
Rot. Bonds8

About [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 4192758) has the molecular formula C23H24N2O8S and a molecular weight of 488.52 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID4192758
Molecular FormulaC23H24N2O8S
Molecular Weight488.52 g/mol
Exact Mass488.13
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C23H24N2O8S/c1-14-5-7-17(34(29,30)25(3)4)11-19(14)24-21(26)12-32-23(28)13-31-16-6-8-18-15(2)9-22(27)33-20(18)10-16/h5-11H,12-13H2,1-4H3,(H,24,26)
InChIKeyJNEWEARURLSUPE-UHFFFAOYSA-N
XLogP2.22
TPSA132.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3501685
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 4092887
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2365358
[2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2403465
N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
CID 2946893
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3411874
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4081477
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 4262839
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4399620
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 5225000
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 6121329

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 4192758) is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is JNEWEARURLSUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O8S/c1-14-5-7-17(34(29,30)25(3)4)11-19(14)24-21(26)12-32-23(28)13-31-16-6-8-18-15(2)9-22(27)33-20(18)10-16/h5-11H,12-13H2,1-4H3,(H,24,26).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 488.52 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 4192758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).