ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C22H22N2O5S — CID 18282068

IUPACethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-3-29-21(26)12-20-24(19(25)14-30-20)13-15-4-6-16(7-5-15)22(27)23-17-8-10-18(28-2)11-9-17/h4-12H,3,13-14H2,1-2H3,(H,23,27)/b20-12-
InChIKeyMOTJZLFBCYXTCF-NDENLUEZSA-N
MW426.49 g/mol
LogP3.43
Rot. Bonds7

About ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 18282068) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID18282068
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Nameethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-3-29-21(26)12-20-24(19(25)14-30-20)13-15-4-6-16(7-5-15)22(27)23-17-8-10-18(28-2)11-9-17/h4-12H,3,13-14H2,1-2H3,(H,23,27)/b20-12-
InChIKeyMOTJZLFBCYXTCF-NDENLUEZSA-N
XLogP3.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.43
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-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-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 (2E)-2-[3-[(4-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695305
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 4-methoxybenzoate
CID 7503824
ethyl (2Z)-2-[3-[2-(4-methoxyphenyl)sulfanylethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 9063402
ethyl (2Z)-2-[3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 9353980
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
ethyl (2Z)-2-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2401375
ethyl (2E)-2-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2401374
ethyl (2Z)-2-[3-[2-(4-acetamidophenyl)sulfanylethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 8948528
2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 7668021
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methoxybenzamide
CID 2811596
ethyl (2Z)-2-[3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695314
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 18282068) is ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is MOTJZLFBCYXTCF-NDENLUEZSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-3-29-21(26)12-20-24(19(25)14-30-20)13-15-4-6-16(7-5-15)22(27)23-17-8-10-18(28-2)11-9-17/h4-12H,3,13-14H2,1-2H3,(H,23,27)/b20-12-.
What are the key properties of ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 426.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 18282068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).