(4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate

C21H25NO6S — CID 2524276

IUPAC(4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
SMILESCCc1ccc(OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H25NO6S/c1-3-16-4-7-18(8-5-16)28-21(23)15-17-6-9-19(26-2)20(14-17)29(24,25)22-10-12-27-13-11-22/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyRXZQRLCRHGGGPI-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.43
Rot. Bonds7

About (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate

(4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate (PubChem CID 2524276) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name(4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
PubChem CID2524276
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Name(4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
SMILESCCc1ccc(OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H25NO6S/c1-3-16-4-7-18(8-5-16)28-21(23)15-17-6-9-19(26-2)20(14-17)29(24,25)22-10-12-27-13-11-22/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyRXZQRLCRHGGGPI-UHFFFAOYSA-N
XLogP2.43
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The IUPAC name of (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate (CID 2524276) is (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate.
What is the SMILES notation for (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The canonical SMILES for (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate is CCc1ccc(OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The InChIKey is RXZQRLCRHGGGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-3-16-4-7-18(8-5-16)28-21(23)15-17-6-9-19(26-2)20(14-17)29(24,25)22-10-12-27-13-11-22/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
(4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate has a molecular weight of 419.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate is sourced from PubChem (CID 2524276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).