N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide

C26H26N2OS — CID 43990074

IUPACN-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(C)ccc(C)c3s2)cc1
InChIInChI=1S/C26H26N2OS/c1-4-20-12-14-21(15-13-20)16-23(29)28(17-22-8-6-5-7-9-22)26-27-24-18(2)10-11-19(3)25(24)30-26/h5-15H,4,16-17H2,1-3H3
InChIKeyDLANOWCLMFMIFA-UHFFFAOYSA-N
MW414.57 g/mol
LogP6.25
Rot. Bonds6

About N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide

N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide (PubChem CID 43990074) has the molecular formula C26H26N2OS and a molecular weight of 414.57 g/mol. Its IUPAC name is N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide
PubChem CID43990074
Molecular FormulaC26H26N2OS
Molecular Weight414.57 g/mol
Exact Mass414.18
IUPAC NameN-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(C)ccc(C)c3s2)cc1
InChIInChI=1S/C26H26N2OS/c1-4-20-12-14-21(15-13-20)16-23(29)28(17-22-8-6-5-7-9-22)26-27-24-18(2)10-11-19(3)25(24)30-26/h5-15H,4,16-17H2,1-3H3
InChIKeyDLANOWCLMFMIFA-UHFFFAOYSA-N
XLogP6.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989767
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41108417
2-(benzenesulfonyl)-N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41115277
N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989769
N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 41115310
N-benzyl-2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41115292
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 16838463
N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41115302
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41115490
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839098
N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8718747
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide (CID 43990074) is N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide is CCc1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(C)ccc(C)c3s2)cc1.
What is the InChIKey of N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide?
The InChIKey is DLANOWCLMFMIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2OS/c1-4-20-12-14-21(15-13-20)16-23(29)28(17-22-8-6-5-7-9-22)26-27-24-18(2)10-11-19(3)25(24)30-26/h5-15H,4,16-17H2,1-3H3.
What are the key properties of N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide?
N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide has a molecular weight of 414.57 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 43990074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).