2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide

C20H24N2O2S — CID 3900118

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2Sc2ccccc2)CC(C)O1
InChIInChI=1S/C20H24N2O2S/c1-15-12-22(13-16(2)24-15)14-20(23)21-18-10-6-7-11-19(18)25-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,21,23)
InChIKeyGSSMNTZIKBDZRG-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.89
Rot. Bonds5

About 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 3900118) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID3900118
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2Sc2ccccc2)CC(C)O1
InChIInChI=1S/C20H24N2O2S/c1-15-12-22(13-16(2)24-15)14-20(23)21-18-10-6-7-11-19(18)25-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,21,23)
InChIKeyGSSMNTZIKBDZRG-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 3900118) is 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide is CC1CN(CC(=O)Nc2ccccc2Sc2ccccc2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is GSSMNTZIKBDZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-12-22(13-16(2)24-15)14-20(23)21-18-10-6-7-11-19(18)25-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.89, 5 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-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 3900118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).