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

C23H21N3O3S — CID 16568214

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)cs1
InChIInChI=1S/C23H21N3O3S/c1-15-25-20(14-30-15)17-4-2-16(3-5-17)12-13-24-23(29)18-6-8-19(9-7-18)26-21(27)10-11-22(26)28/h2-9,14H,10-13H2,1H3,(H,24,29)
InChIKeyUJRDKYCVNKRXGK-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.74
Rot. Bonds6

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 16568214) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
PubChem CID16568214
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)cs1
InChIInChI=1S/C23H21N3O3S/c1-15-25-20(14-30-15)17-4-2-16(3-5-17)12-13-24-23(29)18-6-8-19(9-7-18)26-21(27)10-11-22(26)28/h2-9,14H,10-13H2,1H3,(H,24,29)
InChIKeyUJRDKYCVNKRXGK-UHFFFAOYSA-N
XLogP3.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.74
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

4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24552976
4-cyano-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568157
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24552868
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 16557500
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55575275
1-(3-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46632756
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16568145
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869918
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 9292042

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (CID 16568214) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is Cc1nc(-c2ccc(CCNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)cs1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The InChIKey is UJRDKYCVNKRXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-25-20(14-30-15)17-4-2-16(3-5-17)12-13-24-23(29)18-6-8-19(9-7-18)26-21(27)10-11-22(26)28/h2-9,14H,10-13H2,1H3,(H,24,29).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 419.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 16568214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).