[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate

C18H20N2O6S — CID 24671488

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1O
InChIInChI=1S/C18H20N2O6S/c1-12-3-2-4-15(17(12)22)18(23)26-11-16(21)20-10-9-13-5-7-14(8-6-13)27(19,24)25/h2-8,22H,9-11H2,1H3,(H,20,21)(H2,19,24,25)
InChIKeyHCIFHIVEZYQFHE-UHFFFAOYSA-N
MW392.43 g/mol
LogP0.86
Rot. Bonds7

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 24671488) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
PubChem CID24671488
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1O
InChIInChI=1S/C18H20N2O6S/c1-12-3-2-4-15(17(12)22)18(23)26-11-16(21)20-10-9-13-5-7-14(8-6-13)27(19,24)25/h2-8,22H,9-11H2,1H3,(H,20,21)(H2,19,24,25)
InChIKeyHCIFHIVEZYQFHE-UHFFFAOYSA-N
XLogP0.86
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(butylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578092
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2689452
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
CID 16556676
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2407873
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate
CID 31172106
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 8827810
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-hydroxy-3-methylbenzoate
CID 2578061
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
CID 35192559

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate (CID 24671488) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1O.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is HCIFHIVEZYQFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-12-3-2-4-15(17(12)22)18(23)26-11-16(21)20-10-9-13-5-7-14(8-6-13)27(19,24)25/h2-8,22H,9-11H2,1H3,(H,20,21)(H2,19,24,25).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 392.43 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 24671488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).