N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide

C14H20N2O2S — CID 798143

IUPACN-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C14H20N2O2S/c17-14(12-19-13-4-2-1-3-5-13)15-6-7-16-8-10-18-11-9-16/h1-5H,6-12H2,(H,15,17)
InChIKeyLKXFKWFPEBRNNL-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.23
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide

N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide (PubChem CID 798143) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
PubChem CID798143
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C14H20N2O2S/c17-14(12-19-13-4-2-1-3-5-13)15-6-7-16-8-10-18-11-9-16/h1-5H,6-12H2,(H,15,17)
InChIKeyLKXFKWFPEBRNNL-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide (CID 798143) is N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide?
The InChIKey is LKXFKWFPEBRNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(12-19-13-4-2-1-3-5-13)15-6-7-16-8-10-18-11-9-16/h1-5H,6-12H2,(H,15,17).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide?
N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 798143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).