4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine

C19H23NO4S — CID 16895275

IUPAC4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESCCOc1ccc(C)cc1S(=O)(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H23NO4S/c1-3-23-17-10-9-15(2)13-19(17)25(21,22)20-11-12-24-18(14-20)16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,14H2,1-2H3
InChIKeyADJFYPVMCVKHEJ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.16
Rot. Bonds5

About 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine

4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine (PubChem CID 16895275) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine
PubChem CID16895275
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESCCOc1ccc(C)cc1S(=O)(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H23NO4S/c1-3-23-17-10-9-15(2)13-19(17)25(21,22)20-11-12-24-18(14-20)16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,14H2,1-2H3
InChIKeyADJFYPVMCVKHEJ-UHFFFAOYSA-N
XLogP3.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
CID 25281418
2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866671
4-(2-chloro-5-methylphenyl)sulfonyl-2-phenyl-1,4-oxazepane
CID 146085400
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 71806101
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine (CID 16895275) is 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine is CCOc1ccc(C)cc1S(=O)(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is ADJFYPVMCVKHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-23-17-10-9-15(2)13-19(17)25(21,22)20-11-12-24-18(14-20)16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,14H2,1-2H3.
What are the key properties of 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine?
4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 361.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).