N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide

C18H20Cl2N2O5S2 — CID 55967303

IUPACN-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H20Cl2N2O5S2/c1-10(2)29(26,27)11(3)16(23)21-6-7-22-17(24)15(28-18(22)25)8-12-4-5-13(19)9-14(12)20/h4-5,8-11H,6-7H2,1-3H3,(H,21,23)/b15-8-
InChIKeyWRUHSJWJQPOLRC-NVNXTCNLSA-N
MW479.41 g/mol
LogP3.36
Rot. Bonds7

About N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide

N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 55967303) has the molecular formula C18H20Cl2N2O5S2 and a molecular weight of 479.41 g/mol. Its IUPAC name is N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID55967303
Molecular FormulaC18H20Cl2N2O5S2
Molecular Weight479.41 g/mol
Exact Mass478.02
IUPAC NameN-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H20Cl2N2O5S2/c1-10(2)29(26,27)11(3)16(23)21-6-7-22-17(24)15(28-18(22)25)8-12-4-5-13(19)9-14(12)20/h4-5,8-11H,6-7H2,1-3H3,(H,21,23)/b15-8-
InChIKeyWRUHSJWJQPOLRC-NVNXTCNLSA-N
XLogP3.36
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-di(propan-2-yl)acetamide
CID 126208913
N-[2-[5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiophene-2-carboxamide
CID 74292503
N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 24536803
N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-methylpropanamide
CID 26186691
N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 24536800
N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 24536804
N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 24536830
N-[2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-methylbutanamide
CID 51330539
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124664513
(5Z)-3-[(2,5-dichloroanilino)methyl]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6088421
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 11754368
2-(4-chlorophenyl)-N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 26186717

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide (CID 55967303) is N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is WRUHSJWJQPOLRC-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H20Cl2N2O5S2/c1-10(2)29(26,27)11(3)16(23)21-6-7-22-17(24)15(28-18(22)25)8-12-4-5-13(19)9-14(12)20/h4-5,8-11H,6-7H2,1-3H3,(H,21,23)/b15-8-.
What are the key properties of N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide?
N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 479.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 55967303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).