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

C23H21N3O4S — CID 5224115

IUPAC2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C23H21N3O4S/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/h2-13,20H,14-15H2,1H3,(H,24,27)/b25-23-
InChIKeyRTGKTNHTUVOLPZ-BZZOAKBMSA-N
MW435.51 g/mol
LogP4.45
Rot. Bonds7

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

2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 5224115) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID5224115
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C23H21N3O4S/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/h2-13,20H,14-15H2,1H3,(H,24,27)/b25-23-
InChIKeyRTGKTNHTUVOLPZ-BZZOAKBMSA-N
XLogP4.45
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.45
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

1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(2-furylmethyl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2981070
1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2921642
2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2951582
N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetamide
CID 3540332
CID 9894278
CID 9894278
3-(2-Furylmethyl)-2-[(2-methoxyphenyl)imino]-1,3-thiazolan-4-one
CID 327073
2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 662341
2-[3-(4-ethoxyphenyl)-4-oxo(3-hydroquinazolin-2-ylthio)]-N-(2-furylmethyl)acet amide
CID 1071174
4-amino-3-(4-ethoxyphenyl)-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 1301315
5-(2-Furylmethylene)-3-methyl-2-{[4-(4-morpholinyl)phenyl]imino}-1,3-thiazolidin-4-one
CID 1778296
5-(2-Furylmethylene)-2-[(4-methoxyphenyl)imino]-3-propyl-1,3-thiazolidin-4-one
CID 1813290

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 5224115) is 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-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-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is RTGKTNHTUVOLPZ-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H21N3O4S/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/h2-13,20H,14-15H2,1H3,(H,24,27)/b25-23-.
What are the key properties of 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 435.51 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 5224115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).