N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide

C24H22N2O2S — CID 9372728

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H22N2O2S/c1-26(16-23-25-20-12-6-8-14-22(20)29-23)24(27)17-28-21-13-7-5-11-19(21)15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3
InChIKeyLJWCRAJJNIMGFT-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.92
Rot. Bonds7

About N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide (PubChem CID 9372728) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide
PubChem CID9372728
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H22N2O2S/c1-26(16-23-25-20-12-6-8-14-22(20)29-23)24(27)17-28-21-13-7-5-11-19(21)15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3
InChIKeyLJWCRAJJNIMGFT-UHFFFAOYSA-N
XLogP4.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-(2-ethylphenoxy)-N-methylacetamide
CID 78810702
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 9328120
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7670189
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
CID 26419053
2-[[2-(2-benzylphenoxy)acetyl]-methylamino]acetamide
CID 56813072
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 8561127
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-formyl-4-nitrophenoxy)-N-methylacetamide
CID 8808890
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573213
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
CID 9392276
2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 7936316
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide (CID 9372728) is N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide is CN(Cc1nc2ccccc2s1)C(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide?
The InChIKey is LJWCRAJJNIMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-26(16-23-25-20-12-6-8-14-22(20)29-23)24(27)17-28-21-13-7-5-11-19(21)15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide has a molecular weight of 402.52 g/mol, XLogP of 4.92, 7 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)-2-(2-benzylphenoxy)-N-methylacetamide is sourced from PubChem (CID 9372728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).