[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C20H24N2O6S — CID 2578282

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-22(5-2)29(26,27)16-11-9-15(10-12-16)21-18(23)13-28-20(25)17-8-6-7-14(3)19(17)24/h6-12,24H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyKJNOZHYXEABMIZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.53
Rot. Bonds8

About [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2578282) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2578282
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-22(5-2)29(26,27)16-11-9-15(10-12-16)21-18(23)13-28-20(25)17-8-6-7-14(3)19(17)24/h6-12,24H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyKJNOZHYXEABMIZ-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-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 2624031
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519907
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578372
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2488667
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484569
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
N-[4-(diethylsulfamoyl)phenyl]-2,3-dimethylbenzamide
CID 9415963
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 16530409
[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2578282) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is KJNOZHYXEABMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-22(5-2)29(26,27)16-11-9-15(10-12-16)21-18(23)13-28-20(25)17-8-6-7-14(3)19(17)24/h6-12,24H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate 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-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2578282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).