ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C19H24N2O5S — CID 24511762

IUPACethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1C(C)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H24N2O5S/c1-4-26-18(23)11-17-21(16(22)12-27-17)13(2)19(24)20-10-9-14-5-7-15(25-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)/b17-11-
InChIKeyGOGXEVSXMBKJHQ-BOPFTXTBSA-N
MW392.48 g/mol
LogP1.72
Rot. Bonds8

About ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 24511762) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID24511762
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Nameethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1C(C)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H24N2O5S/c1-4-26-18(23)11-17-21(16(22)12-27-17)13(2)19(24)20-10-9-14-5-7-15(25-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)/b17-11-
InChIKeyGOGXEVSXMBKJHQ-BOPFTXTBSA-N
XLogP1.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate 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

ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 18282068
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
ethyl 2-[3-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 5199582
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950233
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864
[(2R)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731192
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylbutanamide
CID 981255
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55629892

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 24511762) is ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1C(C)C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is GOGXEVSXMBKJHQ-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-26-18(23)11-17-21(16(22)12-27-17)13(2)19(24)20-10-9-14-5-7-15(25-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,20,24)/b17-11-.
What are the key properties of ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 392.48 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[3-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 24511762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).