N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide

C19H24N2O3S — CID 3275371

IUPACN-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSCCc2ccccn2)c1
InChIInChI=1S/C19H24N2O3S/c1-3-23-16-8-9-18(24-4-2)17(13-16)21-19(22)14-25-12-10-15-7-5-6-11-20-15/h5-9,11,13H,3-4,10,12,14H2,1-2H3,(H,21,22)
InChIKeyVMBXHRHFVGKPFH-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.79
Rot. Bonds10

About N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide

N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide (PubChem CID 3275371) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
PubChem CID3275371
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSCCc2ccccn2)c1
InChIInChI=1S/C19H24N2O3S/c1-3-23-16-8-9-18(24-4-2)17(13-16)21-19(22)14-25-12-10-15-7-5-6-11-20-15/h5-9,11,13H,3-4,10,12,14H2,1-2H3,(H,21,22)
InChIKeyVMBXHRHFVGKPFH-UHFFFAOYSA-N
XLogP3.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
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-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide (CID 3275371) is N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide is CCOc1ccc(OCC)c(NC(=O)CSCCc2ccccn2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The InChIKey is VMBXHRHFVGKPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-23-16-8-9-18(24-4-2)17(13-16)21-19(22)14-25-12-10-15-7-5-6-11-20-15/h5-9,11,13H,3-4,10,12,14H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide is sourced from PubChem (CID 3275371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).