2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

C20H24N2O2S — CID 2616433

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-15-3-8-19(16(2)13-15)25-14-20(23)21-17-4-6-18(7-5-17)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyHAYPYQOSSHKYAT-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.87
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2616433) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2616433
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-15-3-8-19(16(2)13-15)25-14-20(23)21-17-4-6-18(7-5-17)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyHAYPYQOSSHKYAT-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 2616433) is 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is HAYPYQOSSHKYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-3-8-19(16(2)13-15)25-14-20(23)21-17-4-6-18(7-5-17)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2616433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).