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

C24H23N3O4S — CID 46402400

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cs2)cc1
InChIInChI=1S/C24H23N3O4S/c1-2-31-20-9-5-17(6-10-20)24-26-19(15-32-24)13-21(28)25-18-7-3-16(4-8-18)14-27-22(29)11-12-23(27)30/h3-10,15H,2,11-14H2,1H3,(H,25,28)
InChIKeyYDRYSFANGHIOCA-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.04
Rot. Bonds8

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

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46402400) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID46402400
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cs2)cc1
InChIInChI=1S/C24H23N3O4S/c1-2-31-20-9-5-17(6-10-20)24-26-19(15-32-24)13-21(28)25-18-7-3-16(4-8-18)14-27-22(29)11-12-23(27)30/h3-10,15H,2,11-14H2,1H3,(H,25,28)
InChIKeyYDRYSFANGHIOCA-UHFFFAOYSA-N
XLogP4.04
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.04
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

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 24684356
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 86898181
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 46586199
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide
CID 60557191
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 46402400) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(-c2nc(CC(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cs2)cc1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YDRYSFANGHIOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-2-31-20-9-5-17(6-10-20)24-26-19(15-32-24)13-21(28)25-18-7-3-16(4-8-18)14-27-22(29)11-12-23(27)30/h3-10,15H,2,11-14H2,1H3,(H,25,28).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 449.53 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46402400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).