[2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C16H18N2O6S — CID 2448843

IUPAC[2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCN(C)C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O6S/c1-18(2)15(19)11-24-16(20)12-5-7-14(8-6-12)25(21,22)17-10-13-4-3-9-23-13/h3-9,17H,10-11H2,1-2H3
InChIKeyJZDRPILUUPXMRF-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.00
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2448843) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2448843
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCN(C)C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O6S/c1-18(2)15(19)11-24-16(20)12-5-7-14(8-6-12)25(21,22)17-10-13-4-3-9-23-13/h3-9,17H,10-11H2,1-2H3
InChIKeyJZDRPILUUPXMRF-UHFFFAOYSA-N
XLogP1.00
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2448843) is [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is CN(C)C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is JZDRPILUUPXMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-18(2)15(19)11-24-16(20)12-5-7-14(8-6-12)25(21,22)17-10-13-4-3-9-23-13/h3-9,17H,10-11H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 366.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2448843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).