N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide

C19H24N2O4S — CID 2472925

IUPACN-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CC(C)(C)C)C2=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)12-16(22)20-9-10-21-17(23)15(26-18(21)24)11-13-5-7-14(25-4)8-6-13/h5-8,11H,9-10,12H2,1-4H3,(H,20,22)/b15-11-
InChIKeyUYVZZDRWPRKWIW-PTNGSMBKSA-N
MW376.48 g/mol
LogP3.28
Rot. Bonds6

About N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide

N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 2472925) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID2472925
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CC(C)(C)C)C2=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)12-16(22)20-9-10-21-17(23)15(26-18(21)24)11-13-5-7-14(25-4)8-6-13/h5-8,11H,9-10,12H2,1-4H3,(H,20,22)/b15-11-
InChIKeyUYVZZDRWPRKWIW-PTNGSMBKSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide (CID 2472925) is N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide is COc1ccc(/C=C2\SC(=O)N(CCNC(=O)CC(C)(C)C)C2=O)cc1.
What is the InChIKey of N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is UYVZZDRWPRKWIW-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)12-16(22)20-9-10-21-17(23)15(26-18(21)24)11-13-5-7-14(25-4)8-6-13/h5-8,11H,9-10,12H2,1-4H3,(H,20,22)/b15-11-.
What are the key properties of N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide?
N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 376.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 2472925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).