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

C23H20N2O2S — CID 41109734

IUPACN-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccccc3)nc12
InChIInChI=1S/C23H20N2O2S/c1-2-27-19-14-9-15-20-21(19)24-23(28-20)25(16-17-10-5-3-6-11-17)22(26)18-12-7-4-8-13-18/h3-15H,2,16H2,1H3
InChIKeyXYOUOUPHIGZPCC-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.54
Rot. Bonds6

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

N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41109734) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41109734
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccccc3)nc12
InChIInChI=1S/C23H20N2O2S/c1-2-27-19-14-9-15-20-21(19)24-23(28-20)25(16-17-10-5-3-6-11-17)22(26)18-12-7-4-8-13-18/h3-15H,2,16H2,1H3
InChIKeyXYOUOUPHIGZPCC-UHFFFAOYSA-N
XLogP5.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109779
N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615772
N-benzyl-5-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 41109764
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631
N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41109701
4-benzoyl-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 43959733
4-[benzyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 18563794
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519165
N-benzyl-2-(4-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41109767
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylbenzamide;hydrochloride
CID 44923734
4-(benzenesulfonyl)-N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 41273292
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide chloride
CID 53351116

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 41109734) is N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccccc3)nc12.
What is the InChIKey of N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is XYOUOUPHIGZPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-2-27-19-14-9-15-20-21(19)24-23(28-20)25(16-17-10-5-3-6-11-17)22(26)18-12-7-4-8-13-18/h3-15H,2,16H2,1H3.
What are the key properties of N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41109734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).