(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine

C19H23NO4S — CID 25281418

IUPAC(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1C
InChIInChI=1S/C19H23NO4S/c1-3-23-18-10-9-17(13-15(18)2)25(21,22)20-11-12-24-19(14-20)16-7-5-4-6-8-16/h4-10,13,19H,3,11-12,14H2,1-2H3/t19-/m1/s1
InChIKeyYGIZVOVYLPROBM-LJQANCHMSA-N
MW361.46 g/mol
LogP3.16
Rot. Bonds5

About (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine

(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine (PubChem CID 25281418) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
PubChem CID25281418
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1C
InChIInChI=1S/C19H23NO4S/c1-3-23-18-10-9-17(13-15(18)2)25(21,22)20-11-12-24-19(14-20)16-7-5-4-6-8-16/h4-10,13,19H,3,11-12,14H2,1-2H3/t19-/m1/s1
InChIKeyYGIZVOVYLPROBM-LJQANCHMSA-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

4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine
CID 16895275
4-(4-ethoxy-3-methylphenyl)sulfonyl-7-phenyl-1,4-thiazepane
CID 90629655
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 71806101
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110327027
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
2-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892680
N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide
CID 25281428

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine (CID 25281418) is (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine is CCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1C.
What is the InChIKey of (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is YGIZVOVYLPROBM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-23-18-10-9-17(13-15(18)2)25(21,22)20-11-12-24-19(14-20)16-7-5-4-6-8-16/h4-10,13,19H,3,11-12,14H2,1-2H3/t19-/m1/s1.
What are the key properties of (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine?
(2S)-4-(4-ethoxy-3-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 (2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 25281418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).