2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide

C18H19ClN2OS — CID 5334734

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C18H19ClN2OS/c1-12-4-5-15(14(3)13(12)2)10-20-21-18(22)11-23-17-8-6-16(19)7-9-17/h4-10H,11H2,1-3H3,(H,21,22)/b20-10+
InChIKeyCRXLSYILNPQPMC-KEBDBYFISA-N
MW346.88 g/mol
LogP4.51
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide (PubChem CID 5334734) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
PubChem CID5334734
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C18H19ClN2OS/c1-12-4-5-15(14(3)13(12)2)10-20-21-18(22)11-23-17-8-6-16(19)7-9-17/h4-10H,11H2,1-3H3,(H,21,22)/b20-10+
InChIKeyCRXLSYILNPQPMC-KEBDBYFISA-N
XLogP4.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)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-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide (CID 5334734) is 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide is Cc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)c1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide?
The InChIKey is CRXLSYILNPQPMC-KEBDBYFISA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-12-4-5-15(14(3)13(12)2)10-20-21-18(22)11-23-17-8-6-16(19)7-9-17/h4-10H,11H2,1-3H3,(H,21,22)/b20-10+.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide has a molecular weight of 346.88 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2,3,4-trimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5334734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).