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

C20H17N3O4S2 — CID 2322167

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C20H17N3O4S2/c1-23(2)29(25,26)15-9-7-13(8-10-15)19(24)22-20-21-16(12-28-20)18-11-14-5-3-4-6-17(14)27-18/h3-12H,1-2H3,(H,21,22,24)
InChIKeyWPLDGUKQKSYDCD-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.06
Rot. Bonds5

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

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2322167) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID2322167
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C20H17N3O4S2/c1-23(2)29(25,26)15-9-7-13(8-10-15)19(24)22-20-21-16(12-28-20)18-11-14-5-3-4-6-17(14)27-18/h3-12H,1-2H3,(H,21,22,24)
InChIKeyWPLDGUKQKSYDCD-UHFFFAOYSA-N
XLogP4.06
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (CID 2322167) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is WPLDGUKQKSYDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c1-23(2)29(25,26)15-9-7-13(8-10-15)19(24)22-20-21-16(12-28-20)18-11-14-5-3-4-6-17(14)27-18/h3-12H,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2322167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).