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

C23H26N2O7S — CID 2946893

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C23H26N2O7S/c1-5-25(6-2)33(28,29)17-8-10-20(30-4)19(13-17)24-22(26)14-31-16-7-9-18-15(3)11-23(27)32-21(18)12-16/h7-13H,5-6,14H2,1-4H3,(H,24,26)
InChIKeySMHOEZZAXOTQSA-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.16
Rot. Bonds9

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

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 2946893) has the molecular formula C23H26N2O7S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID2946893
Molecular FormulaC23H26N2O7S
Molecular Weight474.54 g/mol
Exact Mass474.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C23H26N2O7S/c1-5-25(6-2)33(28,29)17-8-10-20(30-4)19(13-17)24-22(26)14-31-16-7-9-18-15(3)11-23(27)32-21(18)12-16/h7-13H,5-6,14H2,1-4H3,(H,24,26)
InChIKeySMHOEZZAXOTQSA-UHFFFAOYSA-N
XLogP3.16
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16547871
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180438
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 23736109
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19180442
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 1079173
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4061850
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4673261

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 2946893) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is SMHOEZZAXOTQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7S/c1-5-25(6-2)33(28,29)17-8-10-20(30-4)19(13-17)24-22(26)14-31-16-7-9-18-15(3)11-23(27)32-21(18)12-16/h7-13H,5-6,14H2,1-4H3,(H,24,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 474.54 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2946893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).