2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide

C18H18N2O3S — CID 3155764

IUPAC2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
SMILESCCCN1C(=O)SC(CC(=O)Nc2cccc3ccccc23)C1=O
InChIInChI=1S/C18H18N2O3S/c1-2-10-20-17(22)15(24-18(20)23)11-16(21)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11H2,1H3,(H,19,21)
InChIKeyMNPMZUIFIBBHAA-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide

2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide (PubChem CID 3155764) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
PubChem CID3155764
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
SMILESCCCN1C(=O)SC(CC(=O)Nc2cccc3ccccc23)C1=O
InChIInChI=1S/C18H18N2O3S/c1-2-10-20-17(22)15(24-18(20)23)11-16(21)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11H2,1H3,(H,19,21)
InChIKeyMNPMZUIFIBBHAA-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716009
2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 7358056
2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 45145516
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715996
N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974495
2-[5-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 23762747
2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3847272
2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 21368928
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097441
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949
N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974054
N-(2-bromophenyl)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892032

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide (CID 3155764) is 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide is CCCN1C(=O)SC(CC(=O)Nc2cccc3ccccc23)C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide?
The InChIKey is MNPMZUIFIBBHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-2-10-20-17(22)15(24-18(20)23)11-16(21)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide?
2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide has a molecular weight of 342.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 3155764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).