[2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate

C23H24FN3O6S — CID 166595705

IUPAC[2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C23H24FN3O6S/c1-3-26(4-2)23(29)33-18-8-5-6-9-21(18)34(30,31)25-22(28)20-14-16-17(24)12-15(13-19(16)32-20)27-10-7-11-27/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,25,28)
InChIKeyKNPQUCOWQOYBLR-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.74
Rot. Bonds7

About [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate

[2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate (PubChem CID 166595705) has the molecular formula C23H24FN3O6S and a molecular weight of 489.53 g/mol. Its IUPAC name is [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate
PubChem CID166595705
Molecular FormulaC23H24FN3O6S
Molecular Weight489.53 g/mol
Exact Mass489.14
IUPAC Name[2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C23H24FN3O6S/c1-3-26(4-2)23(29)33-18-8-5-6-9-21(18)34(30,31)25-22(28)20-14-16-17(24)12-15(13-19(16)32-20)27-10-7-11-27/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,25,28)
InChIKeyKNPQUCOWQOYBLR-UHFFFAOYSA-N
XLogP3.74
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate?
The IUPAC name of [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate (CID 166595705) is [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate?
The canonical SMILES for [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1.
What is the InChIKey of [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate?
The InChIKey is KNPQUCOWQOYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O6S/c1-3-26(4-2)23(29)33-18-8-5-6-9-21(18)34(30,31)25-22(28)20-14-16-17(24)12-15(13-19(16)32-20)27-10-7-11-27/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,25,28).
What are the key properties of [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate?
[2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate has a molecular weight of 489.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]sulfamoyl]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 166595705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).