2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine

C20H25NO4S — CID 110644079

IUPAC2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)c(C)c1
InChIInChI=1S/C20H25NO4S/c1-15-11-18(24-3)9-10-20(15)26(22,23)21-13-19(25-14-16(21)2)12-17-7-5-4-6-8-17/h4-11,16,19H,12-14H2,1-3H3
InChIKeyKUADFGILCGUQLI-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.02
Rot. Bonds5

About 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine

2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine (PubChem CID 110644079) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
PubChem CID110644079
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)c(C)c1
InChIInChI=1S/C20H25NO4S/c1-15-11-18(24-3)9-10-20(15)26(22,23)21-13-19(25-14-16(21)2)12-17-7-5-4-6-8-17/h4-11,16,19H,12-14H2,1-3H3
InChIKeyKUADFGILCGUQLI-UHFFFAOYSA-N
XLogP3.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 110644115
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195535
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099
1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
CID 110707842
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110643831

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine?
The IUPAC name of 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine (CID 110644079) is 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine.
What is the SMILES notation for 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine?
The canonical SMILES for 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine is COc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)c(C)c1.
What is the InChIKey of 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine?
The InChIKey is KUADFGILCGUQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15-11-18(24-3)9-10-20(15)26(22,23)21-13-19(25-14-16(21)2)12-17-7-5-4-6-8-17/h4-11,16,19H,12-14H2,1-3H3.
What are the key properties of 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine?
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine has a molecular weight of 375.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine is sourced from PubChem (CID 110644079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).