2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate

C20H23NO6S2 — CID 27355012

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate
SMILESO=C(CSc1ccccc1)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23NO6S2/c22-20(16-28-18-4-2-1-3-5-18)27-15-14-26-17-6-8-19(9-7-17)29(23,24)21-10-12-25-13-11-21/h1-9H,10-16H2
InChIKeyQAMPCVGWGHJUJW-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.42
Rot. Bonds9

About 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate

2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate (PubChem CID 27355012) has the molecular formula C20H23NO6S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate
PubChem CID27355012
Molecular FormulaC20H23NO6S2
Molecular Weight437.54 g/mol
Exact Mass437.10
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate
SMILESO=C(CSc1ccccc1)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23NO6S2/c22-20(16-28-18-4-2-1-3-5-18)27-15-14-26-17-6-8-19(9-7-17)29(23,24)21-10-12-25-13-11-21/h1-9H,10-16H2
InChIKeyQAMPCVGWGHJUJW-UHFFFAOYSA-N
XLogP2.42
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate (CID 27355012) is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate is O=C(CSc1ccccc1)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate?
The InChIKey is QAMPCVGWGHJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S2/c22-20(16-28-18-4-2-1-3-5-18)27-15-14-26-17-6-8-19(9-7-17)29(23,24)21-10-12-25-13-11-21/h1-9H,10-16H2.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate?
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate has a molecular weight of 437.54 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-phenylsulfanylacetate is sourced from PubChem (CID 27355012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).