4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine

C20H25NO5S — CID 110364059

IUPAC4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)c3cc(OC)ccc3OC)CCO2)cc1
InChIInChI=1S/C20H25NO5S/c1-4-15-5-7-16(8-6-15)19-14-21(11-12-26-19)27(22,23)20-13-17(24-2)9-10-18(20)25-3/h5-10,13,19H,4,11-12,14H2,1-3H3
InChIKeyZYWFGGTYDCOBCL-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.03
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine

4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine (PubChem CID 110364059) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
PubChem CID110364059
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)c3cc(OC)ccc3OC)CCO2)cc1
InChIInChI=1S/C20H25NO5S/c1-4-15-5-7-16(8-6-15)19-14-21(11-12-26-19)27(22,23)20-13-17(24-2)9-10-18(20)25-3/h5-10,13,19H,4,11-12,14H2,1-3H3
InChIKeyZYWFGGTYDCOBCL-UHFFFAOYSA-N
XLogP3.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398431
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364061
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369131
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine (CID 110364059) is 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine is CCc1ccc(C2CN(S(=O)(=O)c3cc(OC)ccc3OC)CCO2)cc1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine?
The InChIKey is ZYWFGGTYDCOBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-4-15-5-7-16(8-6-15)19-14-21(11-12-26-19)27(22,23)20-13-17(24-2)9-10-18(20)25-3/h5-10,13,19H,4,11-12,14H2,1-3H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine?
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine has a molecular weight of 391.49 g/mol, XLogP of 3.03, 6 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-(4-ethylphenyl)morpholine is sourced from PubChem (CID 110364059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).