4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine

C20H25NO4S — CID 110327378

IUPAC4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2(C)C)c(C)c1
InChIInChI=1S/C20H25NO4S/c1-15-12-17(24-4)10-11-19(15)26(22,23)21-13-18(25-14-20(21,2)3)16-8-6-5-7-9-16/h5-12,18H,13-14H2,1-4H3
InChIKeyHHXVGVKNRKCJDC-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.54
Rot. Bonds4

About 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine

4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine (PubChem CID 110327378) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
PubChem CID110327378
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2(C)C)c(C)c1
InChIInChI=1S/C20H25NO4S/c1-15-12-17(24-4)10-11-19(15)26(22,23)21-13-18(25-14-20(21,2)3)16-8-6-5-7-9-16/h5-12,18H,13-14H2,1-4H3
InChIKeyHHXVGVKNRKCJDC-UHFFFAOYSA-N
XLogP3.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368961
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
CID 110327408
5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110327395
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110368983
3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
CID 110740481
2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110643831
2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid
CID 166289300
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629627
5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
CID 110327404

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine (CID 110327378) is 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine is COc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2(C)C)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine?
The InChIKey is HHXVGVKNRKCJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15-12-17(24-4)10-11-19(15)26(22,23)21-13-18(25-14-20(21,2)3)16-8-6-5-7-9-16/h5-12,18H,13-14H2,1-4H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine?
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine has a molecular weight of 375.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine is sourced from PubChem (CID 110327378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).