2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide

C18H22N2O4S — CID 44775627

IUPAC2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cccnc1Sc1cc(OC)ccc1OC
InChIInChI=1S/C18H22N2O4S/c1-4-24-11-10-19-17(21)14-6-5-9-20-18(14)25-16-12-13(22-2)7-8-15(16)23-3/h5-9,12H,4,10-11H2,1-3H3,(H,19,21)
InChIKeyNUFYYDVNKHLQFS-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.02
Rot. Bonds9

About 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide

2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide (PubChem CID 44775627) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide
PubChem CID44775627
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cccnc1Sc1cc(OC)ccc1OC
InChIInChI=1S/C18H22N2O4S/c1-4-24-11-10-19-17(21)14-6-5-9-20-18(14)25-16-12-13(22-2)7-8-15(16)23-3/h5-9,12H,4,10-11H2,1-3H3,(H,19,21)
InChIKeyNUFYYDVNKHLQFS-UHFFFAOYSA-N
XLogP3.02
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide (CID 44775627) is 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide is CCOCCNC(=O)c1cccnc1Sc1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide?
The InChIKey is NUFYYDVNKHLQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-11-10-19-17(21)14-6-5-9-20-18(14)25-16-12-13(22-2)7-8-15(16)23-3/h5-9,12H,4,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide?
2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-ethoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 44775627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).