2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

C16H24N2O2S — CID 2219795

IUPAC2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc(SCC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-14-3-5-15(6-4-14)21-13-16(19)17-7-2-8-18-9-11-20-12-10-18/h3-6H,2,7-13H2,1H3,(H,17,19)
InChIKeyLUWZBFRMUXJSIE-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.93
Rot. Bonds7

About 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 2219795) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID2219795
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc(SCC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-14-3-5-15(6-4-14)21-13-16(19)17-7-2-8-18-9-11-20-12-10-18/h3-6H,2,7-13H2,1H3,(H,17,19)
InChIKeyLUWZBFRMUXJSIE-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 2219795) is 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide is Cc1ccc(SCC(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is LUWZBFRMUXJSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-14-3-5-15(6-4-14)21-13-16(19)17-7-2-8-18-9-11-20-12-10-18/h3-6H,2,7-13H2,1H3,(H,17,19).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 1.93, 7 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-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 2219795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).