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

C23H21N3O4S — CID 16557500

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCOCCc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)cc1
InChIInChI=1S/C23H21N3O4S/c1-30-13-12-15-2-4-16(5-3-15)19-14-31-23(24-19)25-22(29)17-6-8-18(9-7-17)26-20(27)10-11-21(26)28/h2-9,14H,10-13H2,1H3,(H,24,25,29)
InChIKeyRICJBNJCIZXGGH-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.90
Rot. Bonds7

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 16557500) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID16557500
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCOCCc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)cc1
InChIInChI=1S/C23H21N3O4S/c1-30-13-12-15-2-4-16(5-3-15)19-14-31-23(24-19)25-22(29)17-6-8-18(9-7-17)26-20(27)10-11-21(26)28/h2-9,14H,10-13H2,1H3,(H,24,25,29)
InChIKeyRICJBNJCIZXGGH-UHFFFAOYSA-N
XLogP3.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.90
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

4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568214
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4581402
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 16557483
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 17405575
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 43000681
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 9100810
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 9117772
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 16557500) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide is COCCc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RICJBNJCIZXGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-30-13-12-15-2-4-16(5-3-15)19-14-31-23(24-19)25-22(29)17-6-8-18(9-7-17)26-20(27)10-11-21(26)28/h2-9,14H,10-13H2,1H3,(H,24,25,29).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16557500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).