N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

C24H24N2O3S — CID 3518141

IUPACN-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
SMILESCCOCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21
InChIInChI=1S/C24H24N2O3S/c1-3-29-14-13-26-21-12-11-19(28-2)16-22(21)30-24(26)25-23(27)15-18-9-6-8-17-7-4-5-10-20(17)18/h4-12,16H,3,13-15H2,1-2H3/b25-24-
InChIKeyLCNYMGXCFWLVCZ-IZHYLOQSSA-N
MW420.53 g/mol
LogP4.57
Rot. Bonds7

About N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (PubChem CID 3518141) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
PubChem CID3518141
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
SMILESCCOCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21
InChIInChI=1S/C24H24N2O3S/c1-3-29-14-13-26-21-12-11-19(28-2)16-22(21)30-24(26)25-23(27)15-18-9-6-8-17-7-4-5-10-20(17)18/h4-12,16H,3,13-15H2,1-2H3/b25-24-
InChIKeyLCNYMGXCFWLVCZ-IZHYLOQSSA-N
XLogP4.57
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (CID 3518141) is N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is CCOCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21.
What is the InChIKey of N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The InChIKey is LCNYMGXCFWLVCZ-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-3-29-14-13-26-21-12-11-19(28-2)16-22(21)30-24(26)25-23(27)15-18-9-6-8-17-7-4-5-10-20(17)18/h4-12,16H,3,13-15H2,1-2H3/b25-24-.
What are the key properties of N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide has a molecular weight of 420.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3518141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).