2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide

C23H25N3O4S — CID 2999941

IUPAC2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CC2CCCO2)cc1
InChIInChI=1S/C23H25N3O4S/c1-29-18-11-9-17(10-12-18)25-23-26(15-19-8-5-13-30-19)22(28)20(31-23)14-21(27)24-16-6-3-2-4-7-16/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,24,27)/b25-23-
InChIKeyWMEVSMOTXCGVSV-BZZOAKBMSA-N
MW439.54 g/mol
LogP3.83
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 2999941) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID2999941
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CC2CCCO2)cc1
InChIInChI=1S/C23H25N3O4S/c1-29-18-11-9-17(10-12-18)25-23-26(15-19-8-5-13-30-19)22(28)20(31-23)14-21(27)24-16-6-3-2-4-7-16/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,24,27)/b25-23-
InChIKeyWMEVSMOTXCGVSV-BZZOAKBMSA-N
XLogP3.83
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
CID 3240095
1-(4-Ethoxyphenyl)-3-[(5-ethyl-4,6-dihydroxy-2-pyrimidinyl)thio]-2,5-pyrrolidinedione
CID 2950349
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)-3-pyrrolidinecarboxamide
CID 3154428
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
2-[(2E)-2-[(4-Ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-YL]-N-phenylacetamide
CID 135472706
1-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2857989
N-(2,4-dimethoxyphenyl)-2-{2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl}acetamide
CID 2936993
4-oxo-N-(4-propoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
CID 2958466
[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N-(4-fluorophenyl)-N'-methylcarbamimidothioate
CID 3126858
(2Z)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139951
N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139957
N-(3-ethoxyphenyl)-2-[(3-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3140011

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 2999941) is 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CC2CCCO2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is WMEVSMOTXCGVSV-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-29-18-11-9-17(10-12-18)25-23-26(15-19-8-5-13-30-19)22(28)20(31-23)14-21(27)24-16-6-3-2-4-7-16/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,24,27)/b25-23-.
What are the key properties of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 439.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 2999941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).