4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine

C20H25NO4S — CID 121134912

IUPAC4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
SMILESCOc1ccc(CCS(=O)(=O)N2CCOC(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C20H25NO4S/c1-16-3-7-18(8-4-16)20-15-21(12-13-25-20)26(22,23)14-11-17-5-9-19(24-2)10-6-17/h3-10,20H,11-15H2,1-2H3
InChIKeyLJYRMROENMRYNU-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.95
Rot. Bonds6

About 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine

4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine (PubChem CID 121134912) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
PubChem CID121134912
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
SMILESCOc1ccc(CCS(=O)(=O)N2CCOC(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C20H25NO4S/c1-16-3-7-18(8-4-16)20-15-21(12-13-25-20)26(22,23)14-11-17-5-9-19(24-2)10-6-17/h3-10,20H,11-15H2,1-2H3
InChIKeyLJYRMROENMRYNU-UHFFFAOYSA-N
XLogP2.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 110224483
4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327273
[4-[(2R)-4-[(4-methoxyphenyl)methyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate
CID 87367788
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
N,N-dimethyl-2-(4-methylphenyl)morpholine-4-sulfonamide
CID 110326565
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine (CID 121134912) is 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine is COc1ccc(CCS(=O)(=O)N2CCOC(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine?
The InChIKey is LJYRMROENMRYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-16-3-7-18(8-4-16)20-15-21(12-13-25-20)26(22,23)14-11-17-5-9-19(24-2)10-6-17/h3-10,20H,11-15H2,1-2H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine?
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine has a molecular weight of 375.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 121134912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).