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

C26H27N3O3S — CID 46802746

IUPAC2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESCOCCN1C(=O)C(CC(=O)Nc2ccc3ccccc3c2)S/C1=N\c1ccc(C)c(C)c1
InChIInChI=1S/C26H27N3O3S/c1-17-8-10-21(14-18(17)2)28-26-29(12-13-32-3)25(31)23(33-26)16-24(30)27-22-11-9-19-6-4-5-7-20(19)15-22/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,27,30)/b28-26-
InChIKeyRVWKNTIPSRVXGR-SGEDCAFJSA-N
MW461.59 g/mol
LogP5.06
Rot. Bonds7

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

2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 46802746) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
PubChem CID46802746
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESCOCCN1C(=O)C(CC(=O)Nc2ccc3ccccc3c2)S/C1=N\c1ccc(C)c(C)c1
InChIInChI=1S/C26H27N3O3S/c1-17-8-10-21(14-18(17)2)28-26-29(12-13-32-3)25(31)23(33-26)16-24(30)27-22-11-9-19-6-4-5-7-20(19)15-22/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,27,30)/b28-26-
InChIKeyRVWKNTIPSRVXGR-SGEDCAFJSA-N
XLogP5.06
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974054
2-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 42990706
2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 42994090
N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994108
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994042
N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42993895
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 3136268
2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 42993815
N-(4-butylphenyl)-2-[2-(3,4-dimethylphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3272291
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 55355494
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (CID 46802746) is 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is COCCN1C(=O)C(CC(=O)Nc2ccc3ccccc3c2)S/C1=N\c1ccc(C)c(C)c1.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is RVWKNTIPSRVXGR-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-17-8-10-21(14-18(17)2)28-26-29(12-13-32-3)25(31)23(33-26)16-24(30)27-22-11-9-19-6-4-5-7-20(19)15-22/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,27,30)/b28-26-.
What are the key properties of 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 461.59 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 46802746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).