2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide

C23H20N2O4S — CID 45028862

IUPAC2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)Nc3nccs3)cc1)C2=O
InChIInChI=1S/C23H20N2O4S/c1-28-19-8-9-20-16(13-19)4-5-17(22(20)27)12-15-2-6-18(7-3-15)29-14-21(26)25-23-24-10-11-30-23/h2-3,6-13H,4-5,14H2,1H3,(H,24,25,26)/b17-12+
InChIKeyRLFDJKAXRSUYAW-SFQUDFHCSA-N
MW420.49 g/mol
LogP4.38
Rot. Bonds6

About 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 45028862) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID45028862
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)Nc3nccs3)cc1)C2=O
InChIInChI=1S/C23H20N2O4S/c1-28-19-8-9-20-16(13-19)4-5-17(22(20)27)12-15-2-6-18(7-3-15)29-14-21(26)25-23-24-10-11-30-23/h2-3,6-13H,4-5,14H2,1H3,(H,24,25,26)/b17-12+
InChIKeyRLFDJKAXRSUYAW-SFQUDFHCSA-N
XLogP4.38
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide (CID 45028862) is 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)Nc3nccs3)cc1)C2=O.
What is the InChIKey of 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RLFDJKAXRSUYAW-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-28-19-8-9-20-16(13-19)4-5-17(22(20)27)12-15-2-6-18(7-3-15)29-14-21(26)25-23-24-10-11-30-23/h2-3,6-13H,4-5,14H2,1H3,(H,24,25,26)/b17-12+.
What are the key properties of 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 45028862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).