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

C19H14N2O4S2 — CID 8702507

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C19H14N2O4S2/c1-27(23,24)17-9-5-3-7-13(17)18(22)21-19-20-14(11-26-19)16-10-12-6-2-4-8-15(12)25-16/h2-11H,1H3,(H,20,21,22)
InChIKeyGUOMCDLHXYZBOU-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.21
Rot. Bonds4

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

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (PubChem CID 8702507) has the molecular formula C19H14N2O4S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
PubChem CID8702507
Molecular FormulaC19H14N2O4S2
Molecular Weight398.47 g/mol
Exact Mass398.04
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C19H14N2O4S2/c1-27(23,24)17-9-5-3-7-13(17)18(22)21-19-20-14(11-26-19)16-10-12-6-2-4-8-15(12)25-16/h2-11H,1H3,(H,20,21,22)
InChIKeyGUOMCDLHXYZBOU-UHFFFAOYSA-N
XLogP4.21
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.21
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]-2,3-dimethoxybenzamide
CID 8702490
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60528485
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-[methyl(phenyl)sulfamoyl]benzamide
CID 25319225
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(propan-2-ylsulfamoyl)benzamide
CID 41255414
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33004368
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]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8702482
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2322219

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (CID 8702507) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The InChIKey is GUOMCDLHXYZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S2/c1-27(23,24)17-9-5-3-7-13(17)18(22)21-19-20-14(11-26-19)16-10-12-6-2-4-8-15(12)25-16/h2-11H,1H3,(H,20,21,22).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide has a molecular weight of 398.47 g/mol, XLogP of 4.21, 4 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]-2-methylsulfonylbenzamide is sourced from PubChem (CID 8702507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).