4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine

C21H27NO4S — CID 110369422

IUPAC4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CC(c3ccccc3)OCC2C)cc1C
InChIInChI=1S/C21H27NO4S/c1-5-25-19-11-16(3)21(12-15(19)2)27(23,24)22-13-20(26-14-17(22)4)18-9-7-6-8-10-18/h6-12,17,20H,5,13-14H2,1-4H3
InChIKeyMMMCBAWUGXBKES-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.85
Rot. Bonds5

About 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine

4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine (PubChem CID 110369422) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
PubChem CID110369422
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CC(c3ccccc3)OCC2C)cc1C
InChIInChI=1S/C21H27NO4S/c1-5-25-19-11-16(3)21(12-15(19)2)27(23,24)22-13-20(26-14-17(22)4)18-9-7-6-8-10-18/h6-12,17,20H,5,13-14H2,1-4H3
InChIKeyMMMCBAWUGXBKES-UHFFFAOYSA-N
XLogP3.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine 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

4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 146099586
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739913
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
CID 110740916
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
CID 25281418
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine (CID 110369422) is 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine is CCOc1cc(C)c(S(=O)(=O)N2CC(c3ccccc3)OCC2C)cc1C.
What is the InChIKey of 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The InChIKey is MMMCBAWUGXBKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-5-25-19-11-16(3)21(12-15(19)2)27(23,24)22-13-20(26-14-17(22)4)18-9-7-6-8-10-18/h6-12,17,20H,5,13-14H2,1-4H3.
What are the key properties of 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine has a molecular weight of 389.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine is sourced from PubChem (CID 110369422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).