4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine

C18H29NO4S — CID 2981287

IUPAC4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C18H29NO4S/c1-7-22-17-8-13(4)16(12(2)3)9-18(17)24(20,21)19-10-14(5)23-15(6)11-19/h8-9,12,14-15H,7,10-11H2,1-6H3
InChIKeyJRIATACEZFMAIY-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.32
Rot. Bonds5

About 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2981287) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2981287
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC Name4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C18H29NO4S/c1-7-22-17-8-13(4)16(12(2)3)9-18(17)24(20,21)19-10-14(5)23-15(6)11-19/h8-9,12,14-15H,7,10-11H2,1-6H3
InChIKeyJRIATACEZFMAIY-UHFFFAOYSA-N
XLogP3.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 2981287) is 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is JRIATACEZFMAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-7-22-17-8-13(4)16(12(2)3)9-18(17)24(20,21)19-10-14(5)23-15(6)11-19/h8-9,12,14-15H,7,10-11H2,1-6H3.
What are the key properties of 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 355.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2981287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).