3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide

C22H24N2O6S — CID 26211930

IUPAC3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1OC
InChIInChI=1S/C22H24N2O6S/c1-5-24(6-2)31(27,28)20-12-15(7-10-18(20)29-4)22(26)23-16-8-9-17-14(3)11-21(25)30-19(17)13-16/h7-13H,5-6H2,1-4H3,(H,23,26)
InChIKeyAQCJJPASKTXYNW-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.39
Rot. Bonds7

About 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide

3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 26211930) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID26211930
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC Name3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1OC
InChIInChI=1S/C22H24N2O6S/c1-5-24(6-2)31(27,28)20-12-15(7-10-18(20)29-4)22(26)23-16-8-9-17-14(3)11-21(25)30-19(17)13-16/h7-13H,5-6H2,1-4H3,(H,23,26)
InChIKeyAQCJJPASKTXYNW-UHFFFAOYSA-N
XLogP3.39
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.39
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

3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26878496
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26243070
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2946893
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4795541
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide (CID 26211930) is 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is AQCJJPASKTXYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-5-24(6-2)31(27,28)20-12-15(7-10-18(20)29-4)22(26)23-16-8-9-17-14(3)11-21(25)30-19(17)13-16/h7-13H,5-6H2,1-4H3,(H,23,26).
What are the key properties of 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 444.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 26211930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).