N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide

C15H19FN2O3S — CID 3969475

IUPACN-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H19FN2O3S/c1-11(19)17-14(15(20)18-6-8-21-9-7-18)10-22-13-4-2-12(16)3-5-13/h2-5,14H,6-10H2,1H3,(H,17,19)
InChIKeyCZFHOPUSEYJCNM-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.28
Rot. Bonds5

About N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide

N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide (PubChem CID 3969475) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
PubChem CID3969475
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H19FN2O3S/c1-11(19)17-14(15(20)18-6-8-21-9-7-18)10-22-13-4-2-12(16)3-5-13/h2-5,14H,6-10H2,1H3,(H,17,19)
InChIKeyCZFHOPUSEYJCNM-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
CID 4878801
2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18169460
N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
CID 2105521
N-[2-(4-morpholinyl)ethyl]-3-(phenylthio)propanamide
CID 2226422
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4802479
4-(2-((4-Fluorophenyl)sulfonyl)acetyl)-3,3-dimethylpiperazin-2-one
CID 16863849
4-(4-((4-Fluorophenyl)thio)butanoyl)-3-methylpiperazin-2-one
CID 44116506
2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide
CID 45558648
Ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 47069933
3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 51072649
3-(4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)propanamide
CID 51072682
N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
CID 798143

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide (CID 3969475) is N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The InChIKey is CZFHOPUSEYJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-11(19)17-14(15(20)18-6-8-21-9-7-18)10-22-13-4-2-12(16)3-5-13/h2-5,14H,6-10H2,1H3,(H,17,19).
What are the key properties of N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide has a molecular weight of 326.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 3969475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).