2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide

C26H25N3O2S — CID 3141496

IUPAC2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCCOc1ccc2ccccc2c1C=NNC(=O)CSc1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C26H25N3O2S/c1-4-31-24-12-10-19-7-5-6-8-20(19)22(24)15-27-29-26(30)16-32-25-14-18(3)28-23-11-9-17(2)13-21(23)25/h5-15H,4,16H2,1-3H3,(H,29,30)
InChIKeyZXZCTFPZPNLEKG-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.65
Rot. Bonds7

About 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide

2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 3141496) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID3141496
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCCOc1ccc2ccccc2c1C=NNC(=O)CSc1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C26H25N3O2S/c1-4-31-24-12-10-19-7-5-6-8-20(19)22(24)15-27-29-26(30)16-32-25-14-18(3)28-23-11-9-17(2)13-21(23)25/h5-15H,4,16H2,1-3H3,(H,29,30)
InChIKeyZXZCTFPZPNLEKG-UHFFFAOYSA-N
XLogP5.65
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208863
N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 25251093
N-[(4-bromophenyl)methylideneamino]-2-(2,6-dimethylquinolin-4-yl)sulfanylacetamide
CID 3141494
4-[(Z)-[[2-(2,6-dimethylquinolin-4-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 5433692
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208862
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135708600
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 1130729
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126237927
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130754
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5334451
(2S)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 871144
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126207158

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide (CID 3141496) is 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide is CCOc1ccc2ccccc2c1C=NNC(=O)CSc1cc(C)nc2ccc(C)cc12.
What is the InChIKey of 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is ZXZCTFPZPNLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-4-31-24-12-10-19-7-5-6-8-20(19)22(24)15-27-29-26(30)16-32-25-14-18(3)28-23-11-9-17(2)13-21(23)25/h5-15H,4,16H2,1-3H3,(H,29,30).
What are the key properties of 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 443.57 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 3141496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).