N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide

C20H19N3O2S — CID 56663510

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2S/c1-14-11-19(17-5-3-4-6-18(17)22-14)26-13-20(24)23-21-12-15-7-9-16(25-2)10-8-15/h3-12H,13H2,1-2H3,(H,23,24)/b21-12+
InChIKeyOZFIUHNMJOELEE-CIAFOILYSA-N
MW365.46 g/mol
LogP3.79
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide (PubChem CID 56663510) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
PubChem CID56663510
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2S/c1-14-11-19(17-5-3-4-6-18(17)22-14)26-13-20(24)23-21-12-15-7-9-16(25-2)10-8-15/h3-12H,13H2,1-2H3,(H,23,24)/b21-12+
InChIKeyOZFIUHNMJOELEE-CIAFOILYSA-N
XLogP3.79
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide (CID 56663510) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide is COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide?
The InChIKey is OZFIUHNMJOELEE-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-11-19(17-5-3-4-6-18(17)22-14)26-13-20(24)23-21-12-15-7-9-16(25-2)10-8-15/h3-12H,13H2,1-2H3,(H,23,24)/b21-12+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide has a molecular weight of 365.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 56663510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).