[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate

C21H20N2O6S — CID 2116787

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H20N2O6S/c1-23(17-6-3-2-4-7-17)30(26,27)19-11-9-16(10-12-19)21(25)29-15-20(24)22-14-18-8-5-13-28-18/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyJGBMQPYHHSUWEY-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.58
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2116787) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2116787
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H20N2O6S/c1-23(17-6-3-2-4-7-17)30(26,27)19-11-9-16(10-12-19)21(25)29-15-20(24)22-14-18-8-5-13-28-18/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyJGBMQPYHHSUWEY-UHFFFAOYSA-N
XLogP2.58
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate (CID 2116787) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is JGBMQPYHHSUWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-23(17-6-3-2-4-7-17)30(26,27)19-11-9-16(10-12-19)21(25)29-15-20(24)22-14-18-8-5-13-28-18/h2-13H,14-15H2,1H3,(H,22,24).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 428.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2116787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).