N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide

C23H20N2O2S — CID 9392276

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-25(15-22-24-20-9-5-6-10-21(20)28-22)23(26)18-11-13-19(14-12-18)27-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyBVHABJUEOVCYFH-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.15
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide (PubChem CID 9392276) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
PubChem CID9392276
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-25(15-22-24-20-9-5-6-10-21(20)28-22)23(26)18-11-13-19(14-12-18)27-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyBVHABJUEOVCYFH-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 60787815
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide
CID 26419057
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide
CID 24538886
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 9393692
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
CID 55526282
1,3-benzothiazol-2-ylmethyl 3-phenylmethoxybenzoate
CID 7240035
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7670189
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide
CID 9372728

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide (CID 9392276) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide is CN(Cc1nc2ccccc2s1)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide?
The InChIKey is BVHABJUEOVCYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-25(15-22-24-20-9-5-6-10-21(20)28-22)23(26)18-11-13-19(14-12-18)27-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide has a molecular weight of 388.49 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 9392276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).