N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide

C20H20N2O5S2 — CID 2385521

IUPACN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)cc1
InChIInChI=1S/C20H20N2O5S2/c1-26-14-4-6-15(7-5-14)27-11-8-18(23)21-9-10-22-19(24)17(29-20(22)25)13-16-3-2-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,21,23)/b17-13-
InChIKeyVHRCQUFBCHSKFK-LGMDPLHJSA-N
MW432.52 g/mol
LogP3.38
Rot. Bonds9

About N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide

N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 2385521) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide
PubChem CID2385521
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC NameN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)cc1
InChIInChI=1S/C20H20N2O5S2/c1-26-14-4-6-15(7-5-14)27-11-8-18(23)21-9-10-22-19(24)17(29-20(22)25)13-16-3-2-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,21,23)/b17-13-
InChIKeyVHRCQUFBCHSKFK-LGMDPLHJSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 4081179
N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 2408131
3-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2093025
4-(1,3-dioxoisoindol-2-yl)-N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]butanamide
CID 2447993
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 46569067
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-phenoxybutanamide
CID 4796729
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 51143857
N-[2-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methoxyphenoxy)propanamide
CID 4833293
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-5-methylthiophene-2-carboxamide
CID 2386333
N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-thiophen-3-ylacetamide
CID 17391418
2-(2-methoxyphenyl)-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2640881
N-[3-[2-[5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 4238969

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide (CID 2385521) is N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)cc1.
What is the InChIKey of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is VHRCQUFBCHSKFK-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-26-14-4-6-15(7-5-14)27-11-8-18(23)21-9-10-22-19(24)17(29-20(22)25)13-16-3-2-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,21,23)/b17-13-.
What are the key properties of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide?
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 432.52 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 2385521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).