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

C23H17ClN2O3S — CID 3249523

IUPAC2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C23H17ClN2O3S/c1-2-29-16-11-12-19-20(13-16)30-23(25-19)26-22(28)18-6-4-3-5-17(18)21(27)14-7-9-15(24)10-8-14/h3-13H,2H2,1H3,(H,25,26,28)
InChIKeyYNNWTFCIYHVUKZ-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.83
Rot. Bonds6

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

2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3249523) has the molecular formula C23H17ClN2O3S and a molecular weight of 436.92 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID3249523
Molecular FormulaC23H17ClN2O3S
Molecular Weight436.92 g/mol
Exact Mass436.06
IUPAC Name2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C23H17ClN2O3S/c1-2-29-16-11-12-19-20(13-16)30-23(25-19)26-22(28)18-6-4-3-5-17(18)21(27)14-7-9-15(24)10-8-14/h3-13H,2H2,1H3,(H,25,26,28)
InChIKeyYNNWTFCIYHVUKZ-UHFFFAOYSA-N
XLogP5.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
1-(4-chlorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
CID 930081
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 3249523) is 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YNNWTFCIYHVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S/c1-2-29-16-11-12-19-20(13-16)30-23(25-19)26-22(28)18-6-4-3-5-17(18)21(27)14-7-9-15(24)10-8-14/h3-13H,2H2,1H3,(H,25,26,28).
What are the key properties of 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 436.92 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3249523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).