2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide

C23H21N3O3S — CID 135691920

IUPAC2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
SMILESCCOc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)S2)cc1
InChIInChI=1S/C23H21N3O3S/c1-2-29-17-12-10-16(11-13-17)24-23-26-22(28)20(30-23)14-21(27)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20H,2,14H2,1H3,(H,25,27)(H,24,26,28)/t20-/m1/s1
InChIKeyFBBPNXZTSDDDCO-HXUWFJFHSA-N
MW419.51 g/mol
LogP4.49
Rot. Bonds6

About 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide

2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide (PubChem CID 135691920) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
PubChem CID135691920
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
SMILESCCOc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)S2)cc1
InChIInChI=1S/C23H21N3O3S/c1-2-29-17-12-10-16(11-13-17)24-23-26-22(28)20(30-23)14-21(27)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20H,2,14H2,1H3,(H,25,27)(H,24,26,28)/t20-/m1/s1
InChIKeyFBBPNXZTSDDDCO-HXUWFJFHSA-N
XLogP4.49
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.49
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

2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691919
N-(2,3-dimethylphenyl)-2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834030
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135761147
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135691912
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135956752
2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135704997
(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
CID 135856685
N-(4-butoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135764192
2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135705652

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide (CID 135691920) is 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide is CCOc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)S2)cc1.
What is the InChIKey of 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is FBBPNXZTSDDDCO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-2-29-17-12-10-16(11-13-17)24-23-26-22(28)20(30-23)14-21(27)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20H,2,14H2,1H3,(H,25,27)(H,24,26,28)/t20-/m1/s1.
What are the key properties of 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 419.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 135691920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).