2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide

C17H26N2O2S — CID 2987188

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc(CSCC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-15-3-5-16(6-4-15)13-22-14-17(20)18-7-2-8-19-9-11-21-12-10-19/h3-6H,2,7-14H2,1H3,(H,18,20)
InChIKeyYBZWCMSYIYWTMG-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.07
Rot. Bonds8

About 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 2987188) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID2987188
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc(CSCC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-15-3-5-16(6-4-15)13-22-14-17(20)18-7-2-8-19-9-11-21-12-10-19/h3-6H,2,7-14H2,1H3,(H,18,20)
InChIKeyYBZWCMSYIYWTMG-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.07
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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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 111434012
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide
CID 131937242
N-[3-(azepan-1-yl)propyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 99951347
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-[(4-methylphenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7922333
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
N-[(4-methylphenyl)methyl]-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 42852829
1-[4-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496652
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108907300

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 2987188) is 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide is Cc1ccc(CSCC(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is YBZWCMSYIYWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-15-3-5-16(6-4-15)13-22-14-17(20)18-7-2-8-19-9-11-21-12-10-19/h3-6H,2,7-14H2,1H3,(H,18,20).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 322.47 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 2987188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).