2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide

C14H20N2O2S — CID 17486154

IUPAC2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2CCOC(C)C2)c1
InChIInChI=1S/C14H20N2O2S/c1-11-9-16(6-7-18-11)10-14(17)15-12-4-3-5-13(8-12)19-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyYCRKLAUWKOILOD-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.07
Rot. Bonds4

About 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide

2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 17486154) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID17486154
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2CCOC(C)C2)c1
InChIInChI=1S/C14H20N2O2S/c1-11-9-16(6-7-18-11)10-14(17)15-12-4-3-5-13(8-12)19-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyYCRKLAUWKOILOD-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 9223624
2-(2-methylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 51295683
2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
CID 47135180
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
N-(4-methoxyphenyl)-4-[[2-(2-methylmorpholin-4-yl)acetyl]amino]benzamide
CID 46677637
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30253772
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055274
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 60503003
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108503966

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 17486154) is 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN2CCOC(C)C2)c1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is YCRKLAUWKOILOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11-9-16(6-7-18-11)10-14(17)15-12-4-3-5-13(8-12)19-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 17486154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).