4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

C23H19N3O3S — CID 29441723

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H19N3O3S/c1-2-14-25(23-24-19(15-30-23)16-6-4-3-5-7-16)22(29)17-8-10-18(11-9-17)26-20(27)12-13-21(26)28/h2-11,15H,1,12-14H2
InChIKeyPAHOVQOREBVHPQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.30
Rot. Bonds6

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (PubChem CID 29441723) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
PubChem CID29441723
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H19N3O3S/c1-2-14-25(23-24-19(15-30-23)16-6-4-3-5-7-16)22(29)17-8-10-18(11-9-17)26-20(27)12-13-21(26)28/h2-11,15H,1,12-14H2
InChIKeyPAHOVQOREBVHPQ-UHFFFAOYSA-N
XLogP4.30
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 24591343
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086
methyl N-[4-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]phenyl]carbamate
CID 39992831
6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 134016011
N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide
CID 55787443
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434
3-benzamido-4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 55630363
6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 43069032
4,5-dichloro-1-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrole-2-carboxamide
CID 55600754
1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 18079930

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (CID 29441723) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is PAHOVQOREBVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-2-14-25(23-24-19(15-30-23)16-6-4-3-5-7-16)22(29)17-8-10-18(11-9-17)26-20(27)12-13-21(26)28/h2-11,15H,1,12-14H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 29441723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).