N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide

C22H25N3O3S — CID 135521565

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CC2S/C(=N\CCc3ccccc3)NC2=O)cc1
InChIInChI=1S/C22H25N3O3S/c1-28-18-9-7-17(8-10-18)11-13-23-20(26)15-19-21(27)25-22(29-19)24-14-12-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyIEPXMDMUXQOWOE-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.57
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135521565) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135521565
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CC2S/C(=N\CCc3ccccc3)NC2=O)cc1
InChIInChI=1S/C22H25N3O3S/c1-28-18-9-7-17(8-10-18)11-13-23-20(26)15-19-21(27)25-22(29-19)24-14-12-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyIEPXMDMUXQOWOE-UHFFFAOYSA-N
XLogP2.57
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
CID 3695704
N-[2-(4-Methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2423956
N-(4-methoxyphenethyl)-5-methyl-4,5-dihydrothiazol-2-amine
CID 658531
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2563151
3-[2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3141790
(1-methyl-2,5-dioxopyrrolidin-3-yl) N'-[(4-methoxyphenyl)methyl]-N-phenylcarbamimidothioate
CID 3623574
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3900693
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135454519
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide
CID 135499006
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135519962
(2,5-dioxopyrrolidin-3-yl) N'-[(4-methoxyphenyl)methyl]-N-phenylcarbamimidothioate
CID 2867306
2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 135401298

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide (CID 135521565) is N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide is COc1ccc(CCNC(=O)CC2S/C(=N\CCc3ccccc3)NC2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is IEPXMDMUXQOWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-28-18-9-7-17(8-10-18)11-13-23-20(26)15-19-21(27)25-22(29-19)24-14-12-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 411.53 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135521565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).