2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

C24H22FN3O4S — CID 42990957

IUPAC2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C24H22FN3O4S/c1-2-31-20-8-4-3-7-19(20)27-24-28(15-18-6-5-13-32-18)23(30)21(33-24)14-22(29)26-17-11-9-16(25)10-12-17/h3-13,21H,2,14-15H2,1H3,(H,26,29)/b27-24-
InChIKeyPADVEWRSNWKREH-PNHLSOANSA-N
MW467.52 g/mol
LogP4.98
Rot. Bonds8

About 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 42990957) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
PubChem CID42990957
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C24H22FN3O4S/c1-2-31-20-8-4-3-7-19(20)27-24-28(15-18-6-5-13-32-18)23(30)21(33-24)14-22(29)26-17-11-9-16(25)10-12-17/h3-13,21H,2,14-15H2,1H3,(H,26,29)/b27-24-
InChIKeyPADVEWRSNWKREH-PNHLSOANSA-N
XLogP4.98
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.98
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

N-(3,4-dimethoxyphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42993996
N-(4-fluorophenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1280340
N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 28701760
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
CID 17382438
N-(3-ethoxyphenyl)-2-[3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3941970
2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 2386340
2-[(5S)-2-(2-ethoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715992
N-(3-ethoxyphenyl)-2-[(5R)-2-(2-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244488
N-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-(2-ethoxyphenyl)imino-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide
CID 26860435
N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 18824511
2-[(5S)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-hexoxyphenyl)acetamide
CID 41242525
N-(5-chloro-2-methoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 42993693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (CID 42990957) is 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is PADVEWRSNWKREH-PNHLSOANSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-2-31-20-8-4-3-7-19(20)27-24-28(15-18-6-5-13-32-18)23(30)21(33-24)14-22(29)26-17-11-9-16(25)10-12-17/h3-13,21H,2,14-15H2,1H3,(H,26,29)/b27-24-.
What are the key properties of 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 467.52 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42990957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).