N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C22H17N3O4S — CID 24687299

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1-c1ccccc1
InChIInChI=1S/C22H17N3O4S/c1-13(26)20-19(14-6-3-2-4-7-14)23-22(30-20)24-21(29)15-8-5-9-16(12-15)25-17(27)10-11-18(25)28/h2-9,12H,10-11H2,1H3,(H,23,24,29)
InChIKeyBYJJDLPRMQDFBK-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.92
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 24687299) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID24687299
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1-c1ccccc1
InChIInChI=1S/C22H17N3O4S/c1-13(26)20-19(14-6-3-2-4-7-14)23-22(30-20)24-21(29)15-8-5-9-16(12-15)25-17(27)10-11-18(25)28/h2-9,12H,10-11H2,1H3,(H,23,24,29)
InChIKeyBYJJDLPRMQDFBK-UHFFFAOYSA-N
XLogP3.92
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084540
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 2325473
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651503
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2348668
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 167778378
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16593661
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121042716
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 24687299) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is CC(=O)c1sc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is BYJJDLPRMQDFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c1-13(26)20-19(14-6-3-2-4-7-14)23-22(30-20)24-21(29)15-8-5-9-16(12-15)25-17(27)10-11-18(25)28/h2-9,12H,10-11H2,1H3,(H,23,24,29).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 419.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 24687299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).