2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide

C20H18N2O6S — CID 1085650

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18N2O6S/c23-20(21-13-14-4-3-9-26-14)16-5-1-2-6-17(16)22-29(24,25)15-7-8-18-19(12-15)28-11-10-27-18/h1-9,12,22H,10-11,13H2,(H,21,23)
InChIKeyBAUZMVVQXFFYKI-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.78
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide (PubChem CID 1085650) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide
PubChem CID1085650
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18N2O6S/c23-20(21-13-14-4-3-9-26-14)16-5-1-2-6-17(16)22-29(24,25)15-7-8-18-19(12-15)28-11-10-27-18/h1-9,12,22H,10-11,13H2,(H,21,23)
InChIKeyBAUZMVVQXFFYKI-UHFFFAOYSA-N
XLogP2.78
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide (CID 1085650) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is BAUZMVVQXFFYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c23-20(21-13-14-4-3-9-26-14)16-5-1-2-6-17(16)22-29(24,25)15-7-8-18-19(12-15)28-11-10-27-18/h1-9,12,22H,10-11,13H2,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 414.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1085650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).