2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide

C23H19N3O4S — CID 138387991

IUPAC2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc4ccccc4c3)c(OC)c2)S1
InChIInChI=1S/C23H19N3O4S/c1-29-19-10-14(11-20-22(28)26-23(24)31-20)6-9-18(19)30-13-21(27)25-17-8-7-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3,(H,25,27)(H2,24,26,28)/b20-11-
InChIKeyOKMQLBPUYBFSBG-JAIQZWGSSA-N
MW433.49 g/mol
LogP4.00
Rot. Bonds6

About 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide

2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide (PubChem CID 138387991) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide
PubChem CID138387991
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc4ccccc4c3)c(OC)c2)S1
InChIInChI=1S/C23H19N3O4S/c1-29-19-10-14(11-20-22(28)26-23(24)31-20)6-9-18(19)30-13-21(27)25-17-8-7-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3,(H,25,27)(H2,24,26,28)/b20-11-
InChIKeyOKMQLBPUYBFSBG-JAIQZWGSSA-N
XLogP4.00
TPSA100.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 138388018
2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 138388019
2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 138387958
2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 138388037
2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2688423
(5Z)-2-imino-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 154777666
2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 124660504
N-(4-fluorophenyl)-2-[2-methoxy-4-[(E)-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 137051023
2-[2-methoxy-4-[[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 135497643
2-imino-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128443
2-[4-chloro-2-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 138388065
2-imino-5-[[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171130002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide (CID 138387991) is 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide is [H]/N=C1\NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc4ccccc4c3)c(OC)c2)S1.
What is the InChIKey of 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide?
The InChIKey is OKMQLBPUYBFSBG-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-29-19-10-14(11-20-22(28)26-23(24)31-20)6-9-18(19)30-13-21(27)25-17-8-7-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3,(H,25,27)(H2,24,26,28)/b20-11-.
What are the key properties of 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide?
2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide has a molecular weight of 433.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 138387991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).