N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide

C25H24N2O2S — CID 2102319

IUPACN-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C
InChIInChI=1S/C25H24N2O2S/c1-17-9-8-10-18(2)24(17)27(25-26-20-12-5-7-14-22(20)30-25)23(28)16-15-19-11-4-6-13-21(19)29-3/h4-14H,15-16H2,1-3H3
InChIKeyWBOYSWZVJKLMGF-UHFFFAOYSA-N
MW416.55 g/mol
LogP6.22
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide

N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide (PubChem CID 2102319) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide
PubChem CID2102319
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C
InChIInChI=1S/C25H24N2O2S/c1-17-9-8-10-18(2)24(17)27(25-26-20-12-5-7-14-22(20)30-25)23(28)16-15-19-11-4-6-13-21(19)29-3/h4-14H,15-16H2,1-3H3
InChIKeyWBOYSWZVJKLMGF-UHFFFAOYSA-N
XLogP6.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 8582567
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 34189686
2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)acetamide
CID 2491302
N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 34256400
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2526399
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 9468827
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 2550239
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 8696722
3-(1,3-benzothiazol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054516
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55462709

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide (CID 2102319) is N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is WBOYSWZVJKLMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-17-9-8-10-18(2)24(17)27(25-26-20-12-5-7-14-22(20)30-25)23(28)16-15-19-11-4-6-13-21(19)29-3/h4-14H,15-16H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide?
N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 416.55 g/mol, XLogP of 6.22, 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-yl)-N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2102319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).