[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate

C20H18N2O6S — CID 2376386

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C20H18N2O6S/c23-19(21-13-17-7-4-12-27-17)14-28-20(24)15-8-10-18(11-9-15)29(25,26)22-16-5-2-1-3-6-16/h1-12,22H,13-14H2,(H,21,23)
InChIKeySUAQTJAKNLIRSY-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.55
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate (PubChem CID 2376386) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
PubChem CID2376386
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C20H18N2O6S/c23-19(21-13-17-7-4-12-27-17)14-28-20(24)15-8-10-18(11-9-15)29(25,26)22-16-5-2-1-3-6-16/h1-12,22H,13-14H2,(H,21,23)
InChIKeySUAQTJAKNLIRSY-UHFFFAOYSA-N
XLogP2.55
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate (CID 2376386) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate is O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The InChIKey is SUAQTJAKNLIRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c23-19(21-13-17-7-4-12-27-17)14-28-20(24)15-8-10-18(11-9-15)29(25,26)22-16-5-2-1-3-6-16/h1-12,22H,13-14H2,(H,21,23).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate has a molecular weight of 414.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 2376386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).