4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide

C20H24N2O2S — CID 2279552

IUPAC4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H24N2O2S/c23-20(21-10-15-25-19-4-2-1-3-5-19)18-8-6-17(7-9-18)16-22-11-13-24-14-12-22/h1-9H,10-16H2,(H,21,23)
InChIKeyZTHZETPDNUCCJO-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.04
Rot. Bonds7

About 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide

4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 2279552) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide
PubChem CID2279552
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H24N2O2S/c23-20(21-10-15-25-19-4-2-1-3-5-19)18-8-6-17(7-9-18)16-22-11-13-24-14-12-22/h1-9H,10-16H2,(H,21,23)
InChIKeyZTHZETPDNUCCJO-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.04
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

1-Morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone
CID 2886349
(2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
CID 563441
1-(4-{[(4-Methylphenyl)thio]methyl}benzoyl)piperidine
CID 961997
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide
CID 4059372
4-cyano-N-(3-phenylsulfanylpropyl)benzamide
CID 4792267
[2-[(4-Fluorophenyl)methylsulfanyl]phenyl]-morpholin-4-ylmethanone
CID 778212
N-[3-(4-morpholinyl)propyl]-2-phenyl-2-(phenylthio)acetamide
CID 2862865
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 1739911
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
N,N-Diethyl-4-[(4-methylsulfanyl-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10692042

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide (CID 2279552) is 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is ZTHZETPDNUCCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-20(21-10-15-25-19-4-2-1-3-5-19)18-8-6-17(7-9-18)16-22-11-13-24-14-12-22/h1-9H,10-16H2,(H,21,23).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide?
4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 356.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 2279552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).