2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide

C18H13ClN2O3S — CID 16631984

IUPAC2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O3S/c19-13-6-8-14(9-7-13)20-16(22)11-21-17(23)15(25-18(21)24)10-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,22)/b15-10-
InChIKeyZMRVCKZRHNGXFE-GDNBJRDFSA-N
MW372.83 g/mol
LogP4.01
Rot. Bonds4

About 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide

2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 16631984) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
PubChem CID16631984
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O3S/c19-13-6-8-14(9-7-13)20-16(22)11-21-17(23)15(25-18(21)24)10-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,22)/b15-10-
InChIKeyZMRVCKZRHNGXFE-GDNBJRDFSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide (CID 16631984) is 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide is O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is ZMRVCKZRHNGXFE-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c19-13-6-8-14(9-7-13)20-16(22)11-21-17(23)15(25-18(21)24)10-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,22)/b15-10-.
What are the key properties of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide?
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 372.83 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 16631984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).