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

C20H17ClN2O4S — CID 18808576

IUPAC2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=O)NC2=O)c1
InChIInChI=1S/C20H17ClN2O4S/c1-11-3-4-12(2)15(7-11)22-18(24)10-27-16-6-5-14(21)8-13(16)9-17-19(25)23-20(26)28-17/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25,26)/b17-9-
InChIKeyNRHQPLBOBLTDDW-MFOYZWKCSA-N
MW416.89 g/mol
LogP4.30
Rot. Bonds5

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

2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 18808576) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide
PubChem CID18808576
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=O)NC2=O)c1
InChIInChI=1S/C20H17ClN2O4S/c1-11-3-4-12(2)15(7-11)22-18(24)10-27-16-6-5-14(21)8-13(16)9-17-19(25)23-20(26)28-17/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25,26)/b17-9-
InChIKeyNRHQPLBOBLTDDW-MFOYZWKCSA-N
XLogP4.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[4-chloro-2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 71962966
2-[4-chloro-2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 71962968
(5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634011
2-[4-chloro-2-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 137073763
2-[4-chloro-2-[(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 135518432
2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 16634203
2-[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 18808466
2-[4-chloro-2-[(E)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 137144887
2-[4-chloro-2-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126275398
2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126266328
2-[4-chloro-2-[(Z)-[1-(4-hydroxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126264918
4-chloro-N-[(E)-[5-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126272223

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide (CID 18808576) is 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=O)NC2=O)c1.
What is the InChIKey of 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is NRHQPLBOBLTDDW-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-11-3-4-12(2)15(7-11)22-18(24)10-27-16-6-5-14(21)8-13(16)9-17-19(25)23-20(26)28-17/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25,26)/b17-9-.
What are the key properties of 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide?
2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 416.89 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 18808576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).