N-(4-morpholin-2-ylsulfanylphenyl)acetamide

C12H16N2O2S — CID 117034195

IUPACN-(4-morpholin-2-ylsulfanylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SC2CNCCO2)cc1
InChIInChI=1S/C12H16N2O2S/c1-9(15)14-10-2-4-11(5-3-10)17-12-8-13-6-7-16-12/h2-5,12-13H,6-8H2,1H3,(H,14,15)
InChIKeyOXVCFRDACRJZJZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.68
Rot. Bonds3

About N-(4-morpholin-2-ylsulfanylphenyl)acetamide

N-(4-morpholin-2-ylsulfanylphenyl)acetamide (PubChem CID 117034195) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(4-morpholin-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylsulfanylphenyl)acetamide
PubChem CID117034195
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(4-morpholin-2-ylsulfanylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SC2CNCCO2)cc1
InChIInChI=1S/C12H16N2O2S/c1-9(15)14-10-2-4-11(5-3-10)17-12-8-13-6-7-16-12/h2-5,12-13H,6-8H2,1H3,(H,14,15)
InChIKeyOXVCFRDACRJZJZ-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-(4-morpholin-2-ylsulfanylphenyl)acetamide (CID 117034195) is N-(4-morpholin-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-morpholin-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-(4-morpholin-2-ylsulfanylphenyl)acetamide is CC(=O)Nc1ccc(SC2CNCCO2)cc1.
What is the InChIKey of N-(4-morpholin-2-ylsulfanylphenyl)acetamide?
The InChIKey is OXVCFRDACRJZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9(15)14-10-2-4-11(5-3-10)17-12-8-13-6-7-16-12/h2-5,12-13H,6-8H2,1H3,(H,14,15).
What are the key properties of N-(4-morpholin-2-ylsulfanylphenyl)acetamide?
N-(4-morpholin-2-ylsulfanylphenyl)acetamide has a molecular weight of 252.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 117034195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).