4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

C19H23NO4S — CID 110369123

IUPAC4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-4-6-16(7-5-14)19-13-20(12-15(2)24-19)25(21,22)18-10-8-17(23-3)9-11-18/h4-11,15,19H,12-13H2,1-3H3
InChIKeyKQGMJQCABOPVGJ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.15
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine

4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (PubChem CID 110369123) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
PubChem CID110369123
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-4-6-16(7-5-14)19-13-20(12-15(2)24-19)25(21,22)18-10-8-17(23-3)9-11-18/h4-11,15,19H,12-13H2,1-3H3
InChIKeyKQGMJQCABOPVGJ-UHFFFAOYSA-N
XLogP3.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369131
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
CID 26833180
4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369136
(4-methylphenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764685
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369024
(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
CID 95220723
4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369118
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine (CID 110369123) is 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is COc1ccc(S(=O)(=O)N2CC(C)OC(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The InChIKey is KQGMJQCABOPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-4-6-16(7-5-14)19-13-20(12-15(2)24-19)25(21,22)18-10-8-17(23-3)9-11-18/h4-11,15,19H,12-13H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine has a molecular weight of 361.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine is sourced from PubChem (CID 110369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).