N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C25H24N2OS — CID 41110131

IUPACN-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)c(C)c1
InChIInChI=1S/C25H24N2OS/c1-17-9-11-21(19(3)13-17)15-24(28)27(16-20-7-5-4-6-8-20)25-26-22-12-10-18(2)14-23(22)29-25/h4-14H,15-16H2,1-3H3
InChIKeyKPEMHCSTQFSPRZ-UHFFFAOYSA-N
MW400.55 g/mol
LogP6.00
Rot. Bonds5

About N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41110131) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID41110131
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC NameN-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)c(C)c1
InChIInChI=1S/C25H24N2OS/c1-17-9-11-21(19(3)13-17)15-24(28)27(16-20-7-5-4-6-8-20)25-26-22-12-10-18(2)14-23(22)29-25/h4-14H,15-16H2,1-3H3
InChIKeyKPEMHCSTQFSPRZ-UHFFFAOYSA-N
XLogP6.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 18586988
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41108386
2-(2,5-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41342782
N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide
CID 41109544
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 40982885
N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 43967247
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110127
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
CID 41110107
N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8670835
2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41342783

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 41110131) is N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)c(C)c1.
What is the InChIKey of N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is KPEMHCSTQFSPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-17-9-11-21(19(3)13-17)15-24(28)27(16-20-7-5-4-6-8-20)25-26-22-12-10-18(2)14-23(22)29-25/h4-14H,15-16H2,1-3H3.
What are the key properties of N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 400.55 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41110131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).