4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

C23H18N2O3S — CID 2332417

IUPAC4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1
InChIInChI=1S/C23H18N2O3S/c1-2-28-18-12-13-19-20(14-18)29-23(24-19)25-22(27)17-10-8-16(9-11-17)21(26)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,25,27)
InChIKeyDEXMZYPDFPRIDM-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.18
Rot. Bonds6

About 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2332417) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID2332417
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1
InChIInChI=1S/C23H18N2O3S/c1-2-28-18-12-13-19-20(14-18)29-23(24-19)25-22(27)17-10-8-16(9-11-17)21(26)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,25,27)
InChIKeyDEXMZYPDFPRIDM-UHFFFAOYSA-N
XLogP5.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3249523
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2117790
[4-[[6-(ethoxymethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-phenyliodanium
CID 87394674
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
CID 121080183

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 2332417) is 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1.
What is the InChIKey of 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is DEXMZYPDFPRIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-2-28-18-12-13-19-20(14-18)29-23(24-19)25-22(27)17-10-8-16(9-11-17)21(26)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,25,27).
What are the key properties of 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 402.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2332417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).