2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C19H22N2O2S — CID 847697

IUPAC2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-15-6-8-16(9-7-15)24-14-19(22)20-17-4-2-3-5-18(17)21-10-12-23-13-11-21/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeyIFHZHCXWUMUXSF-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 847697) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID847697
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-15-6-8-16(9-7-15)24-14-19(22)20-17-4-2-3-5-18(17)21-10-12-23-13-11-21/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeyIFHZHCXWUMUXSF-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 847697) is 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is Cc1ccc(SCC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is IFHZHCXWUMUXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15-6-8-16(9-7-15)24-14-19(22)20-17-4-2-3-5-18(17)21-10-12-23-13-11-21/h2-9H,10-14H2,1H3,(H,20,22).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 847697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).