N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide

C19H18N2O5S2 — CID 2397176

IUPACN-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1OC
InChIInChI=1S/C19H18N2O5S2/c1-25-14-7-3-6-13(16(14)26-2)17(22)20-8-9-21-18(23)15(28-19(21)24)11-12-5-4-10-27-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)/b15-11+
InChIKeyPDEDOUDWJPTXDD-RVDMUPIBSA-N
MW418.50 g/mol
LogP3.23
Rot. Bonds7

About N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide

N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide (PubChem CID 2397176) has the molecular formula C19H18N2O5S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide
PubChem CID2397176
Molecular FormulaC19H18N2O5S2
Molecular Weight418.50 g/mol
Exact Mass418.07
IUPAC NameN-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1OC
InChIInChI=1S/C19H18N2O5S2/c1-25-14-7-3-6-13(16(14)26-2)17(22)20-8-9-21-18(23)15(28-19(21)24)11-12-5-4-10-27-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)/b15-11+
InChIKeyPDEDOUDWJPTXDD-RVDMUPIBSA-N
XLogP3.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.23
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'}

Analyze N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 18111967
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
N-(2-aminoethyl)-2-phenylmethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 16035583
1-(2,3-Dimethoxybenzoyl)-4-(2-thienylcarbonyl)piperazine
CID 1148081
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethoxybenzamide
CID 2379777
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 2390489
N-(2-((3,4-Dimethoxyphenethyl)amino)-2-oxoethyl)-5-methylthiophene-2-carboxamide
CID 2537535
5-(2,3-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2917409
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-2,3-dimethoxybenzamide
CID 3238662
3-methoxy-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3242103
2-methoxy-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3244176
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide (CID 2397176) is N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1OC.
What is the InChIKey of N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide?
The InChIKey is PDEDOUDWJPTXDD-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H18N2O5S2/c1-25-14-7-3-6-13(16(14)26-2)17(22)20-8-9-21-18(23)15(28-19(21)24)11-12-5-4-10-27-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)/b15-11+.
What are the key properties of N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide?
N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide has a molecular weight of 418.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 2397176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).