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

C18H19FN2O2S — CID 2994341

IUPAC2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19FN2O2S/c19-14-1-7-17(8-2-14)24-13-18(22)20-15-3-5-16(6-4-15)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyUJLNGAGPQUETNN-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.39
Rot. Bonds5

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

2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2994341) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2994341
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19FN2O2S/c19-14-1-7-17(8-2-14)24-13-18(22)20-15-3-5-16(6-4-15)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyUJLNGAGPQUETNN-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.39
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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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
(3S)-3-(4-fluorophenyl)-5-(4-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 100816087
2-[[5-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4149083
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-(4-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7751943
2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 4798116
2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2337002
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 2994341) is 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CSc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is UJLNGAGPQUETNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-14-1-7-17(8-2-14)24-13-18(22)20-15-3-5-16(6-4-15)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2994341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).