2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C19H22N2O5S — CID 56669773

IUPAC2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22N2O5S/c1-23-14-7-5-6-8-17(14)27-12-18(22)21-20-11-13-9-15(24-2)19(26-4)16(10-13)25-3/h5-11H,12H2,1-4H3,(H,21,22)/b20-11+
InChIKeySYGUJPMJNZARIW-RGVLZGJSSA-N
MW390.46 g/mol
LogP2.96
Rot. Bonds9

About 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 56669773) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID56669773
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22N2O5S/c1-23-14-7-5-6-8-17(14)27-12-18(22)21-20-11-13-9-15(24-2)19(26-4)16(10-13)25-3/h5-11H,12H2,1-4H3,(H,21,22)/b20-11+
InChIKeySYGUJPMJNZARIW-RGVLZGJSSA-N
XLogP2.96
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide 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 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 56669773) is 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1ccccc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is SYGUJPMJNZARIW-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-23-14-7-5-6-8-17(14)27-12-18(22)21-20-11-13-9-15(24-2)19(26-4)16(10-13)25-3/h5-11H,12H2,1-4H3,(H,21,22)/b20-11+.
What are the key properties of 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 56669773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).