2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C16H23FN2O2S — CID 4802479

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CSc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H23FN2O2S/c1-16(2,19-7-9-21-10-8-19)12-18-15(20)11-22-14-5-3-13(17)4-6-14/h3-6H,7-12H2,1-2H3,(H,18,20)
InChIKeyBGBWVLVNFUJSBW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.14
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 4802479) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID4802479
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CSc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H23FN2O2S/c1-16(2,19-7-9-21-10-8-19)12-18-15(20)11-22-14-5-3-13(17)4-6-14/h3-6H,7-12H2,1-2H3,(H,18,20)
InChIKeyBGBWVLVNFUJSBW-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 4802479) is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CSc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is BGBWVLVNFUJSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-16(2,19-7-9-21-10-8-19)12-18-15(20)11-22-14-5-3-13(17)4-6-14/h3-6H,7-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.14, 6 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-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 4802479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).