N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

C20H18N2O3S2 — CID 18808558

IUPACN-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)NC3=O)cc2)c(C)c1
InChIInChI=1S/C20H18N2O3S2/c1-12-3-8-16(13(2)9-12)21-18(23)11-25-15-6-4-14(5-7-15)10-17-19(24)22-20(26)27-17/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24,26)/b17-10-
InChIKeyMOSJNEFKVQMEKV-YVLHZVERSA-N
MW398.51 g/mol
LogP3.81
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (PubChem CID 18808558) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
PubChem CID18808558
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)NC3=O)cc2)c(C)c1
InChIInChI=1S/C20H18N2O3S2/c1-12-3-8-16(13(2)9-12)21-18(23)11-25-15-6-4-14(5-7-15)10-17-19(24)22-20(26)27-17/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24,26)/b17-10-
InChIKeyMOSJNEFKVQMEKV-YVLHZVERSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide 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-(4-bromo-2-methylphenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 162653715
2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16634046
N-benzyl-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 51353661
2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2688423
2-[2-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19256391
2-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 54613211
N-(2,4-dimethylphenyl)-2-[(5E)-5-[[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126188114
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 135570644
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-[4-[(Z)-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126262012
2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 124660504

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (CID 18808558) is N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)NC3=O)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The InChIKey is MOSJNEFKVQMEKV-YVLHZVERSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-12-3-8-16(13(2)9-12)21-18(23)11-25-15-6-4-14(5-7-15)10-17-19(24)22-20(26)27-17/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24,26)/b17-10-.
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide has a molecular weight of 398.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 18808558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).