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

C22H25N3O4S — CID 135519962

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CC2S/C(=N/Cc3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C22H25N3O4S/c1-28-17-9-7-15(8-10-17)11-12-23-20(26)13-19-21(27)25-22(30-19)24-14-16-5-3-4-6-18(16)29-2/h3-10,19H,11-14H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyXGOIATBADRKSQW-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.54
Rot. Bonds9

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

N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135519962) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135519962
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CC2S/C(=N/Cc3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C22H25N3O4S/c1-28-17-9-7-15(8-10-17)11-12-23-20(26)13-19-21(27)25-22(30-19)24-14-16-5-3-4-6-18(16)29-2/h3-10,19H,11-14H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyXGOIATBADRKSQW-UHFFFAOYSA-N
XLogP2.54
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
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-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135415534
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-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135521565
2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 135401298
(Z)-N-(3,4-dimethoxyphenethyl)-2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamide
CID 2938392
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 2998820
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 135439824

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135519962) is N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(CCNC(=O)CC2S/C(=N/Cc3ccccc3OC)NC2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is XGOIATBADRKSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-28-17-9-7-15(8-10-17)11-12-23-20(26)13-19-21(27)25-22(30-19)24-14-16-5-3-4-6-18(16)29-2/h3-10,19H,11-14H2,1-2H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 427.53 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135519962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).