4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

C20H25NO5S — CID 110369131

IUPAC4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H25NO5S/c1-14-5-7-16(8-6-14)19-13-21(12-15(2)26-19)27(22,23)20-11-17(24-3)9-10-18(20)25-4/h5-11,15,19H,12-13H2,1-4H3
InChIKeyCQPQYXOFUMAMIN-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.16
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (PubChem CID 110369131) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
PubChem CID110369131
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H25NO5S/c1-14-5-7-16(8-6-14)19-13-21(12-15(2)26-19)27(22,23)20-11-17(24-3)9-10-18(20)25-4/h5-11,15,19H,12-13H2,1-4H3
InChIKeyCQPQYXOFUMAMIN-UHFFFAOYSA-N
XLogP3.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369024
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369136
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (CID 110369131) is 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is COc1ccc(OC)c(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The InChIKey is CQPQYXOFUMAMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-14-5-7-16(8-6-14)19-13-21(12-15(2)26-19)27(22,23)20-11-17(24-3)9-10-18(20)25-4/h5-11,15,19H,12-13H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine has a molecular weight of 391.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is sourced from PubChem (CID 110369131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).