N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide

C24H21BrN2O2S — CID 16848566

IUPACN-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(Br)cc3s2)cc1C
InChIInChI=1S/C24H21BrN2O2S/c1-16-12-18(8-11-21(16)29-2)13-23(28)27(15-17-6-4-3-5-7-17)24-26-20-10-9-19(25)14-22(20)30-24/h3-12,14H,13,15H2,1-2H3
InChIKeyWGFGGXKAEWMKCO-UHFFFAOYSA-N
MW481.42 g/mol
LogP6.15
Rot. Bonds6

About N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide

N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 16848566) has the molecular formula C24H21BrN2O2S and a molecular weight of 481.42 g/mol. Its IUPAC name is N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID16848566
Molecular FormulaC24H21BrN2O2S
Molecular Weight481.42 g/mol
Exact Mass480.05
IUPAC NameN-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(Br)cc3s2)cc1C
InChIInChI=1S/C24H21BrN2O2S/c1-16-12-18(8-11-21(16)29-2)13-23(28)27(15-17-6-4-3-5-7-17)24-26-20-10-9-19(25)14-22(20)30-24/h3-12,14H,13,15H2,1-2H3
InChIKeyWGFGGXKAEWMKCO-UHFFFAOYSA-N
XLogP6.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848554
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848558
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 16848231
N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 41110507
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 44931602
N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16848575
N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8670835
N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41110131
N-(6-bromo-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide
CID 40983231
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41108386
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
2-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41108529

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide (CID 16848566) is N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide is COc1ccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(Br)cc3s2)cc1C.
What is the InChIKey of N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is WGFGGXKAEWMKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O2S/c1-16-12-18(8-11-21(16)29-2)13-23(28)27(15-17-6-4-3-5-7-17)24-26-20-10-9-19(25)14-22(20)30-24/h3-12,14H,13,15H2,1-2H3.
What are the key properties of N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 481.42 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 16848566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).