4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide

C21H19N3O5S2 — CID 45490906

IUPAC4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc2oc(COc3ccc(C(=O)Nc4nccs4)cc3)cc2c1
InChIInChI=1S/C21H19N3O5S2/c1-24(2)31(26,27)18-7-8-19-15(12-18)11-17(29-19)13-28-16-5-3-14(4-6-16)20(25)23-21-22-9-10-30-21/h3-12H,13H2,1-2H3,(H,22,23,25)
InChIKeyLUQRVMORPZJYCU-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.97
Rot. Bonds7

About 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide

4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 45490906) has the molecular formula C21H19N3O5S2 and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID45490906
Molecular FormulaC21H19N3O5S2
Molecular Weight457.53 g/mol
Exact Mass457.08
IUPAC Name4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc2oc(COc3ccc(C(=O)Nc4nccs4)cc3)cc2c1
InChIInChI=1S/C21H19N3O5S2/c1-24(2)31(26,27)18-7-8-19-15(12-18)11-17(29-19)13-28-16-5-3-14(4-6-16)20(25)23-21-22-9-10-30-21/h3-12H,13H2,1-2H3,(H,22,23,25)
InChIKeyLUQRVMORPZJYCU-UHFFFAOYSA-N
XLogP3.97
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide (CID 45490906) is 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide is CN(C)S(=O)(=O)c1ccc2oc(COc3ccc(C(=O)Nc4nccs4)cc3)cc2c1.
What is the InChIKey of 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LUQRVMORPZJYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S2/c1-24(2)31(26,27)18-7-8-19-15(12-18)11-17(29-19)13-28-16-5-3-14(4-6-16)20(25)23-21-22-9-10-30-21/h3-12H,13H2,1-2H3,(H,22,23,25).
What are the key properties of 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide?
4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 457.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 45490906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).