N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C23H26N2O6S — CID 5225000

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C23H26N2O6S/c1-5-25(6-2)32(28,29)18-9-7-15(3)20(13-18)24-22(26)14-30-17-8-10-19-16(4)11-23(27)31-21(19)12-17/h7-13H,5-6,14H2,1-4H3,(H,24,26)
InChIKeyRFJKPPTXMFFKLM-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.46
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 5225000) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID5225000
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C23H26N2O6S/c1-5-25(6-2)32(28,29)18-9-7-15(3)20(13-18)24-22(26)14-30-17-8-10-19-16(4)11-23(27)31-21(19)12-17/h7-13H,5-6,14H2,1-4H3,(H,24,26)
InChIKeyRFJKPPTXMFFKLM-UHFFFAOYSA-N
XLogP3.46
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.46
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-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 4092887
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4192758
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
CID 2946893
2-(4-methyl-2-oxochromen-7-yloxy)-N-(4-piperidylphenyl)propanamide
CID 2966609
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[4-(4-morpholinyl)phenyl]propanamide
CID 2968365
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3411874
[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
2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4801946

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 5225000) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is RFJKPPTXMFFKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-5-25(6-2)32(28,29)18-9-7-15(3)20(13-18)24-22(26)14-30-17-8-10-19-16(4)11-23(27)31-21(19)12-17/h7-13H,5-6,14H2,1-4H3,(H,24,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 458.54 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 5225000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).