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

C24H16ClN3O3S — CID 41109848

IUPACN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C24H16ClN3O3S/c25-18-11-6-12-19-21(18)26-24(32-19)27(13-15-7-2-1-3-8-15)20(29)14-28-22(30)16-9-4-5-10-17(16)23(28)31/h1-12H,13-14H2
InChIKeyVEYTVVKUKXDPNG-UHFFFAOYSA-N
MW461.93 g/mol
LogP4.78
Rot. Bonds5

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

N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 41109848) has the molecular formula C24H16ClN3O3S and a molecular weight of 461.93 g/mol. Its IUPAC name is N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID41109848
Molecular FormulaC24H16ClN3O3S
Molecular Weight461.93 g/mol
Exact Mass461.06
IUPAC NameN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C24H16ClN3O3S/c25-18-11-6-12-19-21(18)26-24(32-19)27(13-15-7-2-1-3-8-15)20(29)14-28-22(30)16-9-4-5-10-17(16)23(28)31/h1-12H,13-14H2
InChIKeyVEYTVVKUKXDPNG-UHFFFAOYSA-N
XLogP4.78
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 41109691
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 41116087
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 44908443
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44899617
3-(benzenesulfonyl)-N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)propanamide
CID 18581938
N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 41109819
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 41109876
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989757
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41343593
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 41343839
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 41109878
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 43967313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 41109848) is N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is VEYTVVKUKXDPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O3S/c25-18-11-6-12-19-21(18)26-24(32-19)27(13-15-7-2-1-3-8-15)20(29)14-28-22(30)16-9-4-5-10-17(16)23(28)31/h1-12H,13-14H2.
What are the key properties of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 461.93 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 41109848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).