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

C21H16N4O4S — CID 1120366

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C21H16N4O4S/c26-17-8-9-18(27)25(17)16-3-1-2-14(12-16)20(29)23-15-6-4-13(5-7-15)19(28)24-21-22-10-11-30-21/h1-7,10-12H,8-9H2,(H,23,29)(H,22,24,28)
InChIKeyKVZVLLDJXXSGKK-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.30
Rot. Bonds5

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

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 1120366) has the molecular formula C21H16N4O4S and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID1120366
Molecular FormulaC21H16N4O4S
Molecular Weight420.45 g/mol
Exact Mass420.09
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C21H16N4O4S/c26-17-8-9-18(27)25(17)16-3-1-2-14(12-16)20(29)23-15-6-4-13(5-7-15)19(28)24-21-22-10-11-30-21/h1-7,10-12H,8-9H2,(H,23,29)(H,22,24,28)
InChIKeyKVZVLLDJXXSGKK-UHFFFAOYSA-N
XLogP3.30
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 29441698
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7941196
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084540
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 23933844
6-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
CID 7740879

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 1120366) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is KVZVLLDJXXSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S/c26-17-8-9-18(27)25(17)16-3-1-2-14(12-16)20(29)23-15-6-4-13(5-7-15)19(28)24-21-22-10-11-30-21/h1-7,10-12H,8-9H2,(H,23,29)(H,22,24,28).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 420.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 1120366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).