[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C19H21N3O7S — CID 2355620

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H21N3O7S/c1-20-30(26,27)15-5-2-4-14(12-15)19(25)29-13-17(23)21-7-9-22(10-8-21)18(24)16-6-3-11-28-16/h2-6,11-12,20H,7-10,13H2,1H3
InChIKeyRAGGDTLRABYRQR-UHFFFAOYSA-N
MW435.46 g/mol
LogP0.33
Rot. Bonds6

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 2355620) has the molecular formula C19H21N3O7S and a molecular weight of 435.46 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID2355620
Molecular FormulaC19H21N3O7S
Molecular Weight435.46 g/mol
Exact Mass435.11
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H21N3O7S/c1-20-30(26,27)15-5-2-4-14(12-15)19(25)29-13-17(23)21-7-9-22(10-8-21)18(24)16-6-3-11-28-16/h2-6,11-12,20H,7-10,13H2,1H3
InChIKeyRAGGDTLRABYRQR-UHFFFAOYSA-N
XLogP0.33
TPSA126.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 2355620) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is RAGGDTLRABYRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O7S/c1-20-30(26,27)15-5-2-4-14(12-15)19(25)29-13-17(23)21-7-9-22(10-8-21)18(24)16-6-3-11-28-16/h2-6,11-12,20H,7-10,13H2,1H3.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 435.46 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 2355620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).