N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide

C22H16Cl2N2O2S — CID 41109508

IUPACN-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C22H16Cl2N2O2S/c23-16-10-11-19(17(24)12-16)28-14-21(27)26(13-15-6-2-1-3-7-15)22-25-18-8-4-5-9-20(18)29-22/h1-12H,13-14H2
InChIKeyBPUDHZIFAYWZHZ-UHFFFAOYSA-N
MW443.36 g/mol
LogP6.22
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide

N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 41109508) has the molecular formula C22H16Cl2N2O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
PubChem CID41109508
Molecular FormulaC22H16Cl2N2O2S
Molecular Weight443.36 g/mol
Exact Mass442.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C22H16Cl2N2O2S/c23-16-10-11-19(17(24)12-16)28-14-21(27)26(13-15-6-2-1-3-7-15)22-25-18-8-4-5-9-20(18)29-22/h1-12H,13-14H2
InChIKeyBPUDHZIFAYWZHZ-UHFFFAOYSA-N
XLogP6.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.36
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44922659
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44925467
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 34262166
N-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenoxyacetamide
CID 163718990
2-(2,4-dichlorophenoxy)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41055389
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 43959509
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 17487018
2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44925028
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-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41346063
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide (CID 41109508) is N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is BPUDHZIFAYWZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2S/c23-16-10-11-19(17(24)12-16)28-14-21(27)26(13-15-6-2-1-3-7-15)22-25-18-8-4-5-9-20(18)29-22/h1-12H,13-14H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide?
N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 443.36 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-benzyl-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 41109508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).