N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide

C24H22N2O3S — CID 7926935

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCc1cc(C)c2nc(NC(=O)COc3ccc(OCc4ccccc4)cc3)sc2c1
InChIInChI=1S/C24H22N2O3S/c1-16-12-17(2)23-21(13-16)30-24(26-23)25-22(27)15-29-20-10-8-19(9-11-20)28-14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,25,26,27)
InChIKeyRXQBMJRTJRWSTI-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.51
Rot. Bonds7

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 7926935) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID7926935
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCc1cc(C)c2nc(NC(=O)COc3ccc(OCc4ccccc4)cc3)sc2c1
InChIInChI=1S/C24H22N2O3S/c1-16-12-17(2)23-21(13-16)30-24(26-23)25-22(27)15-29-20-10-8-19(9-11-20)28-14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,25,26,27)
InChIKeyRXQBMJRTJRWSTI-UHFFFAOYSA-N
XLogP5.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214311
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 7542324
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7540712
2-(2-bromo-4-methylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 19214317
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17110805
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 23790582
2-(4-acetyl-2-methoxyphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 40600944
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3470440
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 19228149

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide (CID 7926935) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide is Cc1cc(C)c2nc(NC(=O)COc3ccc(OCc4ccccc4)cc3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is RXQBMJRTJRWSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-12-17(2)23-21(13-16)30-24(26-23)25-22(27)15-29-20-10-8-19(9-11-20)28-14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,25,26,27).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 418.52 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 7926935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).