N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide

C21H18N2O4S2 — CID 25319317

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C21H18N2O4S2/c1-13(2)29(25,26)16-8-5-7-15(10-16)20(24)23-21-22-17(12-28-21)19-11-14-6-3-4-9-18(14)27-19/h3-13H,1-2H3,(H,22,23,24)
InChIKeyARQJPQIKDYNDGM-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.99
Rot. Bonds5

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide (PubChem CID 25319317) has the molecular formula C21H18N2O4S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
PubChem CID25319317
Molecular FormulaC21H18N2O4S2
Molecular Weight426.52 g/mol
Exact Mass426.07
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C21H18N2O4S2/c1-13(2)29(25,26)16-8-5-7-15(10-16)20(24)23-21-22-17(12-28-21)19-11-14-6-3-4-9-18(14)27-19/h3-13H,1-2H3,(H,22,23,24)
InChIKeyARQJPQIKDYNDGM-UHFFFAOYSA-N
XLogP4.99
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.99
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]-3-(propan-2-ylsulfamoyl)benzamide
CID 41255414
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587128
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587131
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 25319225
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 8702507
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[bis(2-chloroethyl)sulfamoyl]benzamide
CID 2322200
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]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56561159
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 27991229
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide (CID 25319317) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide?
The InChIKey is ARQJPQIKDYNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S2/c1-13(2)29(25,26)16-8-5-7-15(10-16)20(24)23-21-22-17(12-28-21)19-11-14-6-3-4-9-18(14)27-19/h3-13H,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide has a molecular weight of 426.52 g/mol, XLogP of 4.99, 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]-3-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 25319317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).