N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide

C24H24N2O2S — CID 140526075

IUPACN-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide
SMILESCC#CC(C)(C)NC(=O)C(Oc1nc2ccccc2cc1-c1ccccc1)SC
InChIInChI=1S/C24H24N2O2S/c1-5-15-24(2,3)26-21(27)23(29-4)28-22-19(17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)25-22/h6-14,16,23H,1-4H3,(H,26,27)
InChIKeyRWBYDGWYMHLFEU-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.89
Rot. Bonds6

About N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide

N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide (PubChem CID 140526075) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide
PubChem CID140526075
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide
SMILESCC#CC(C)(C)NC(=O)C(Oc1nc2ccccc2cc1-c1ccccc1)SC
InChIInChI=1S/C24H24N2O2S/c1-5-15-24(2,3)26-21(27)23(29-4)28-22-19(17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)25-22/h6-14,16,23H,1-4H3,(H,26,27)
InChIKeyRWBYDGWYMHLFEU-UHFFFAOYSA-N
XLogP4.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide 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 N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide?
The IUPAC name of N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide (CID 140526075) is N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide.
What is the SMILES notation for N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide?
The canonical SMILES for N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide is CC#CC(C)(C)NC(=O)C(Oc1nc2ccccc2cc1-c1ccccc1)SC.
What is the InChIKey of N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide?
The InChIKey is RWBYDGWYMHLFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-5-15-24(2,3)26-21(27)23(29-4)28-22-19(17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)25-22/h6-14,16,23H,1-4H3,(H,26,27).
What are the key properties of N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide?
N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide has a molecular weight of 404.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-2-(3-phenylquinolin-2-yl)oxyacetamide is sourced from PubChem (CID 140526075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).