[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate

C20H24N2O6S — CID 7483419

IUPAC[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C20H24N2O6S/c1-4-22(5-2)29(26,27)17-10-9-14(3)18(12-17)21-19(24)13-28-20(25)15-7-6-8-16(23)11-15/h6-12,23H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyQTMLSGXODWHZFT-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.53
Rot. Bonds8

About [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate

[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 7483419) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate
PubChem CID7483419
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C20H24N2O6S/c1-4-22(5-2)29(26,27)17-10-9-14(3)18(12-17)21-19(24)13-28-20(25)15-7-6-8-16(23)11-15/h6-12,23H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyQTMLSGXODWHZFT-UHFFFAOYSA-N
XLogP2.53
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484569
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284489
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3421483
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2689622
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 7044367
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505674
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 18268792
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
CID 6216805

Frequently Asked Questions

What is the IUPAC name of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate (CID 7483419) is [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2cccc(O)c2)c1.
What is the InChIKey of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is QTMLSGXODWHZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-22(5-2)29(26,27)17-10-9-14(3)18(12-17)21-19(24)13-28-20(25)15-7-6-8-16(23)11-15/h6-12,23H,4-5,13H2,1-3H3,(H,21,24).
What are the key properties of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate?
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 420.49 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7483419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).