1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone

C20H23NO5S — CID 47914947

IUPAC1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone
SMILESCC1CN(C(=O)COc2cccc(S(C)(=O)=O)c2)CC(c2ccccc2)O1
InChIInChI=1S/C20H23NO5S/c1-15-12-21(13-19(26-15)16-7-4-3-5-8-16)20(22)14-25-17-9-6-10-18(11-17)27(2,23)24/h3-11,15,19H,12-14H2,1-2H3
InChIKeyGHRMOBBVYCTAOM-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.46
Rot. Bonds5

About 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone

1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone (PubChem CID 47914947) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone
PubChem CID47914947
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone
SMILESCC1CN(C(=O)COc2cccc(S(C)(=O)=O)c2)CC(c2ccccc2)O1
InChIInChI=1S/C20H23NO5S/c1-15-12-21(13-19(26-15)16-7-4-3-5-8-16)20(22)14-25-17-9-6-10-18(11-17)27(2,23)24/h3-11,15,19H,12-14H2,1-2H3
InChIKeyGHRMOBBVYCTAOM-UHFFFAOYSA-N
XLogP2.46
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 94140358
4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 95138688
1-[(4S)-4-methylazepan-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 95591231
2-(3-methylsulfonylphenoxy)-1-thiomorpholin-4-ylethanone
CID 56797127
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 47914001
1-(4-cyclopropylpiperazin-1-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 56799528
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 5224731
2-(3-fluorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740566
1-cyclopropyl-2-(3-methylsulfonylphenoxy)ethanone
CID 63904019

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone (CID 47914947) is 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone is CC1CN(C(=O)COc2cccc(S(C)(=O)=O)c2)CC(c2ccccc2)O1.
What is the InChIKey of 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone?
The InChIKey is GHRMOBBVYCTAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-15-12-21(13-19(26-15)16-7-4-3-5-8-16)20(22)14-25-17-9-6-10-18(11-17)27(2,23)24/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone?
1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone has a molecular weight of 389.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone is sourced from PubChem (CID 47914947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).