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

C23H19ClN2O2S — CID 41110274

IUPACN-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C23H19ClN2O2S/c1-2-28-19-11-12-20-21(14-19)29-23(25-20)26(15-16-7-4-3-5-8-16)22(27)17-9-6-10-18(24)13-17/h3-14H,2,15H2,1H3
InChIKeyHHSXTMHFIDGALQ-UHFFFAOYSA-N
MW422.94 g/mol
LogP6.20
Rot. Bonds6

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

N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41110274) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41110274
Molecular FormulaC23H19ClN2O2S
Molecular Weight422.94 g/mol
Exact Mass422.09
IUPAC NameN-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C23H19ClN2O2S/c1-2-28-19-11-12-20-21(14-19)29-23(25-20)26(15-16-7-4-3-5-8-16)22(27)17-9-6-10-18(24)13-17/h3-14H,2,15H2,1H3
InChIKeyHHSXTMHFIDGALQ-UHFFFAOYSA-N
XLogP6.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110314
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41110309
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615810
N-benzyl-4-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110277
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 40982975
N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 56501884
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340207
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 29388167
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pent-4-enamide
CID 52866242
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110261
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109583

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 41110274) is N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)sc2c1.
What is the InChIKey of N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HHSXTMHFIDGALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c1-2-28-19-11-12-20-21(14-19)29-23(25-20)26(15-16-7-4-3-5-8-16)22(27)17-9-6-10-18(24)13-17/h3-14H,2,15H2,1H3.
What are the key properties of N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 422.94 g/mol, XLogP of 6.20, 6 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-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41110274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).