N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide

C24H21ClN2O2S — CID 41110637

IUPACN-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)c2sc(N(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C24H21ClN2O2S/c1-16-12-17(2)23-21(13-16)26-24(30-23)27(14-18-6-4-3-5-7-18)22(28)15-29-20-10-8-19(25)9-11-20/h3-13H,14-15H2,1-2H3
InChIKeyXOQJSLIKKYLNBX-UHFFFAOYSA-N
MW436.96 g/mol
LogP6.18
Rot. Bonds6

About N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide

N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41110637) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID41110637
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC NameN-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)c2sc(N(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C24H21ClN2O2S/c1-16-12-17(2)23-21(13-16)26-24(30-23)27(14-18-6-4-3-5-7-18)22(28)15-29-20-10-8-19(25)9-11-20/h3-13H,14-15H2,1-2H3
InChIKeyXOQJSLIKKYLNBX-UHFFFAOYSA-N
XLogP6.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 40519364
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325664
2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41117564
N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 41109919
N-benzyl-2-(4-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41109767
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41108410
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 30971778
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 41110640
N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
CID 41109508
N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989773
N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989769
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 40508156

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide (CID 41110637) is N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide is Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XOQJSLIKKYLNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-16-12-17(2)23-21(13-16)26-24(30-23)27(14-18-6-4-3-5-7-18)22(28)15-29-20-10-8-19(25)9-11-20/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 436.96 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41110637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).