N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C22H17ClN2O2S — CID 41110197

IUPACN-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C22H17ClN2O2S/c1-27-18-10-11-19-20(13-18)28-22(24-19)25(14-15-6-3-2-4-7-15)21(26)16-8-5-9-17(23)12-16/h2-13H,14H2,1H3
InChIKeyDTHIJPGDKNDCSN-UHFFFAOYSA-N
MW408.91 g/mol
LogP5.81
Rot. Bonds5

About N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41110197) has the molecular formula C22H17ClN2O2S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41110197
Molecular FormulaC22H17ClN2O2S
Molecular Weight408.91 g/mol
Exact Mass408.07
IUPAC NameN-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C22H17ClN2O2S/c1-27-18-10-11-19-20(13-18)28-22(24-19)25(14-15-6-3-2-4-7-15)21(26)16-8-5-9-17(23)12-16/h2-13H,14H2,1H3
InChIKeyDTHIJPGDKNDCSN-UHFFFAOYSA-N
XLogP5.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110274
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110261
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 18572499
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41110232
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110227
N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 134016037
2-[(3-chlorobenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511228
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41110198
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615801
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615805

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 41110197) is N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)sc2c1.
What is the InChIKey of N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is DTHIJPGDKNDCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S/c1-27-18-10-11-19-20(13-18)28-22(24-19)25(14-15-6-3-2-4-7-15)21(26)16-8-5-9-17(23)12-16/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 408.91 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41110197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).