N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H20N2O6S — CID 3411874

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc12
InChIInChI=1S/C20H20N2O6S/c1-13-9-20(24)28-18-11-15(7-8-17(13)18)27-12-19(23)21-14-5-4-6-16(10-14)29(25,26)22(2)3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyATMVQGGSSVTKAW-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.37
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 3411874) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID3411874
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc12
InChIInChI=1S/C20H20N2O6S/c1-13-9-20(24)28-18-11-15(7-8-17(13)18)27-12-19(23)21-14-5-4-6-16(10-14)29(25,26)22(2)3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyATMVQGGSSVTKAW-UHFFFAOYSA-N
XLogP2.37
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(7-Methoxy-2-Oxo-2h-Chromen-4-Yl)-N-(4-Sulfamoylphenyl)acetamide
CID 41180562
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3501685
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4192758
N-(2-ethoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 888665
N-(2,4-difluorophenyl)-2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamide
CID 907421
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
(2E)-3-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1178394
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2365358
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2365392
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate
CID 2421642
N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
CID 2946893

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 3411874) is N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc12.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is ATMVQGGSSVTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-13-9-20(24)28-18-11-15(7-8-17(13)18)27-12-19(23)21-14-5-4-6-16(10-14)29(25,26)22(2)3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 416.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 3411874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).