N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

C25H19N3O4S2 — CID 25319225

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C25H19N3O4S2/c1-28(19-8-3-2-4-9-19)34(30,31)20-13-11-17(12-14-20)24(29)27-25-26-21(16-33-25)23-15-18-7-5-6-10-22(18)32-23/h2-16H,1H3,(H,26,27,29)
InChIKeyAURKOOZHBBIEKD-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.63
Rot. Bonds6

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

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 25319225) has the molecular formula C25H19N3O4S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID25319225
Molecular FormulaC25H19N3O4S2
Molecular Weight489.58 g/mol
Exact Mass489.08
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C25H19N3O4S2/c1-28(19-8-3-2-4-9-19)34(30,31)20-13-11-17(12-14-20)24(29)27-25-26-21(16-33-25)23-15-18-7-5-6-10-22(18)32-23/h2-16H,1H3,(H,26,27,29)
InChIKeyAURKOOZHBBIEKD-UHFFFAOYSA-N
XLogP5.63
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[bis(2-chloroethyl)sulfamoyl]benzamide
CID 2322200
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2374824
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[cyclohexyl(ethyl)sulfamoyl]benzamide
CID 16831528
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2322219
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 25319317
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 3942275
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2322204
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(propan-2-ylsulfamoyl)benzamide
CID 41255414
4-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912778
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 16833573

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 25319225) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)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-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is AURKOOZHBBIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S2/c1-28(19-8-3-2-4-9-19)34(30,31)20-13-11-17(12-14-20)24(29)27-25-26-21(16-33-25)23-15-18-7-5-6-10-22(18)32-23/h2-16H,1H3,(H,26,27,29).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 489.58 g/mol, XLogP of 5.63, 6 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-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 25319225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).