[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone

C23H28N2O5S — CID 43057359

IUPAC[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccccc4)C3)c2)CC(C)O1
InChIInChI=1S/C23H28N2O5S/c1-17-14-25(15-18(2)30-17)31(27,28)21-10-6-9-20(13-21)23(26)24-11-12-29-22(16-24)19-7-4-3-5-8-19/h3-10,13,17-18,22H,11-12,14-16H2,1-2H3
InChIKeyBCHMXQQYNWSLJI-UHFFFAOYSA-N
MW444.55 g/mol
LogP2.70
Rot. Bonds4

About [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone

[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone (PubChem CID 43057359) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
PubChem CID43057359
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccccc4)C3)c2)CC(C)O1
InChIInChI=1S/C23H28N2O5S/c1-17-14-25(15-18(2)30-17)31(27,28)21-10-6-9-20(13-21)23(26)24-11-12-29-22(16-24)19-7-4-3-5-8-19/h3-10,13,17-18,22H,11-12,14-16H2,1-2H3
InChIKeyBCHMXQQYNWSLJI-UHFFFAOYSA-N
XLogP2.70
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone 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

[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
CID 55948015
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone
CID 119579187
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 43001978
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110354731
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 42949393
1-[4-[4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 97289180
2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 9093988
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone (CID 43057359) is [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone is CC1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccccc4)C3)c2)CC(C)O1.
What is the InChIKey of [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is BCHMXQQYNWSLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-17-14-25(15-18(2)30-17)31(27,28)21-10-6-9-20(13-21)23(26)24-11-12-29-22(16-24)19-7-4-3-5-8-19/h3-10,13,17-18,22H,11-12,14-16H2,1-2H3.
What are the key properties of [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone?
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 444.55 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 43057359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).