1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea

C18H16N2O7S — CID 122499932

IUPAC1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
SMILESCC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3ccoc3cc3ccoc23)c1
InChIInChI=1S/C18H16N2O7S/c1-18(2,22)11-8-14(27-9-11)28(23,24)20-17(21)19-15-12-4-6-25-13(12)7-10-3-5-26-16(10)15/h3-9,22H,1-2H3,(H2,19,20,21)
InChIKeyHUHCSYYZOAOXFJ-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.51
Rot. Bonds4

About 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea

1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea (PubChem CID 122499932) has the molecular formula C18H16N2O7S and a molecular weight of 404.40 g/mol. Its IUPAC name is 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea.

Molecular Properties

Compound Name1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
PubChem CID122499932
Molecular FormulaC18H16N2O7S
Molecular Weight404.40 g/mol
Exact Mass404.07
IUPAC Name1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
SMILESCC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3ccoc3cc3ccoc23)c1
InChIInChI=1S/C18H16N2O7S/c1-18(2,22)11-8-14(27-9-11)28(23,24)20-17(21)19-15-12-4-6-25-13(12)7-10-3-5-26-16(10)15/h3-9,22H,1-2H3,(H2,19,20,21)
InChIKeyHUHCSYYZOAOXFJ-UHFFFAOYSA-N
XLogP3.51
TPSA134.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea?
The IUPAC name of 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea (CID 122499932) is 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea.
What is the SMILES notation for 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea?
The canonical SMILES for 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea is CC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3ccoc3cc3ccoc23)c1.
What is the InChIKey of 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea?
The InChIKey is HUHCSYYZOAOXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O7S/c1-18(2,22)11-8-14(27-9-11)28(23,24)20-17(21)19-15-12-4-6-25-13(12)7-10-3-5-26-16(10)15/h3-9,22H,1-2H3,(H2,19,20,21).
What are the key properties of 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea?
1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea has a molecular weight of 404.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-furo[2,3-f][1]benzofuran-4-yl-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea is sourced from PubChem (CID 122499932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).