[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C16H15N3O9S — CID 55643754

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C16H15N3O9S/c17-29(23,24)14-4-3-11(28-14)15(21)27-8-13(20)19-16(22)18-9-1-2-10-12(7-9)26-6-5-25-10/h1-4,7H,5-6,8H2,(H2,17,23,24)(H2,18,19,20,22)
InChIKeyGUJLUOHUYMPLLF-UHFFFAOYSA-N
MW425.38 g/mol
LogP0.20
Rot. Bonds5

About [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643754) has the molecular formula C16H15N3O9S and a molecular weight of 425.38 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643754
Molecular FormulaC16H15N3O9S
Molecular Weight425.38 g/mol
Exact Mass425.05
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C16H15N3O9S/c17-29(23,24)14-4-3-11(28-14)15(21)27-8-13(20)19-16(22)18-9-1-2-10-12(7-9)26-6-5-25-10/h1-4,7H,5-6,8H2,(H2,17,23,24)(H2,18,19,20,22)
InChIKeyGUJLUOHUYMPLLF-UHFFFAOYSA-N
XLogP0.20
TPSA176.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573926
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536566
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584668
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-iodobenzoate
CID 2555712
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 16527713
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2592469
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2099248
[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 4857585
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522079

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55643754) is [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)o1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is GUJLUOHUYMPLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O9S/c17-29(23,24)14-4-3-11(28-14)15(21)27-8-13(20)19-16(22)18-9-1-2-10-12(7-9)26-6-5-25-10/h1-4,7H,5-6,8H2,(H2,17,23,24)(H2,18,19,20,22).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 425.38 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).