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

C23H19N3O3S — CID 1296094

IUPAC3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)sc2c1
InChIInChI=1S/C23H19N3O3S/c1-2-29-18-11-12-19-20(14-18)30-23(25-19)26-22(28)16-9-6-10-17(13-16)24-21(27)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyIMKNQTDWBUXRMU-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.20
Rot. Bonds6

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

3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1296094) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID1296094
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)sc2c1
InChIInChI=1S/C23H19N3O3S/c1-2-29-18-11-12-19-20(14-18)30-23(25-19)26-22(28)16-9-6-10-17(13-16)24-21(27)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyIMKNQTDWBUXRMU-UHFFFAOYSA-N
XLogP5.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.20
H-Bond Donors ≤ 52
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-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-[3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18912982
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
CID 121080183
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
N-[3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18912946
N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 9193366
N-[3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-4-fluorobenzamide
CID 18913126
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 1296094) is 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)sc2c1.
What is the InChIKey of 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is IMKNQTDWBUXRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-2-29-18-11-12-19-20(14-18)30-23(25-19)26-22(28)16-9-6-10-17(13-16)24-21(27)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 417.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1296094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).