2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide

C18H18N2O5S — CID 18413981

IUPAC2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide
SMILESCN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccccc1CC(=O)NO
InChIInChI=1S/C18H18N2O5S/c1-20(12-15-10-13-6-2-4-8-16(13)25-15)26(23,24)17-9-5-3-7-14(17)11-18(21)19-22/h2-10,22H,11-12H2,1H3,(H,19,21)
InChIKeyVROMCVFEOWFIIU-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide

2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide (PubChem CID 18413981) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide
PubChem CID18413981
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide
SMILESCN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccccc1CC(=O)NO
InChIInChI=1S/C18H18N2O5S/c1-20(12-15-10-13-6-2-4-8-16(13)25-15)26(23,24)17-9-5-3-7-14(17)11-18(21)19-22/h2-10,22H,11-12H2,1H3,(H,19,21)
InChIKeyVROMCVFEOWFIIU-UHFFFAOYSA-N
XLogP2.30
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide (CID 18413981) is 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide is CN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccccc1CC(=O)NO.
What is the InChIKey of 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide?
The InChIKey is VROMCVFEOWFIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-20(12-15-10-13-6-2-4-8-16(13)25-15)26(23,24)17-9-5-3-7-14(17)11-18(21)19-22/h2-10,22H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide?
2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide has a molecular weight of 374.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-benzofuran-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-hydroxyacetamide is sourced from PubChem (CID 18413981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).