2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide

C15H20N2O3S — CID 108503966

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
SMILESCSc1cccc(NC(=O)C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-8-17(9-11(2)20-10)15(19)14(18)16-12-5-4-6-13(7-12)21-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)
InChIKeySEFWKEOVMDSUKV-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.98
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide

2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide (PubChem CID 108503966) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
PubChem CID108503966
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
SMILESCSc1cccc(NC(=O)C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-8-17(9-11(2)20-10)15(19)14(18)16-12-5-4-6-13(7-12)21-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)
InChIKeySEFWKEOVMDSUKV-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504006
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
CID 7900282
N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504097
N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503965
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108505619
2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 17486154
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551840
N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108514940
N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide
CID 18588616
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108504026

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide (CID 108503966) is 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide is CSc1cccc(NC(=O)C(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide?
The InChIKey is SEFWKEOVMDSUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-8-17(9-11(2)20-10)15(19)14(18)16-12-5-4-6-13(7-12)21-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide?
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide has a molecular weight of 308.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108503966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).