N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C24H17N3O3S — CID 23933844

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C24H17N3O3S/c28-21-12-13-22(29)27(21)18-5-3-4-16(14-18)23(30)25-17-10-8-15(9-11-17)24-26-19-6-1-2-7-20(19)31-24/h1-11,14H,12-13H2,(H,25,30)
InChIKeyPRFZOANETCTSEL-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.87
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 23933844) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID23933844
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C24H17N3O3S/c28-21-12-13-22(29)27(21)18-5-3-4-16(14-18)23(30)25-17-10-8-15(9-11-17)24-26-19-6-1-2-7-20(19)31-24/h1-11,14H,12-13H2,(H,25,30)
InChIKeyPRFZOANETCTSEL-UHFFFAOYSA-N
XLogP4.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-iodobenzamide
CID 2266955
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 29441698
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 38283803
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 16644145
N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 3605288
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 27378367
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31527069
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 11316678
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 1120366
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 23933844) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is PRFZOANETCTSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-21-12-13-22(29)27(21)18-5-3-4-16(14-18)23(30)25-17-10-8-15(9-11-17)24-26-19-6-1-2-7-20(19)31-24/h1-11,14H,12-13H2,(H,25,30).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 427.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 23933844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).