2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate

C20H22ClNO6S2 — CID 26970218

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(Cl)cc1)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22ClNO6S2/c21-16-1-5-18(6-2-16)29-15-20(23)28-14-13-27-17-3-7-19(8-4-17)30(24,25)22-9-11-26-12-10-22/h1-8H,9-15H2
InChIKeyAHTWAVYAPRJCQB-UHFFFAOYSA-N
MW471.98 g/mol
LogP3.08
Rot. Bonds9

About 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate

2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 26970218) has the molecular formula C20H22ClNO6S2 and a molecular weight of 471.98 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
PubChem CID26970218
Molecular FormulaC20H22ClNO6S2
Molecular Weight471.98 g/mol
Exact Mass471.06
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(Cl)cc1)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22ClNO6S2/c21-16-1-5-18(6-2-16)29-15-20(23)28-14-13-27-17-3-7-19(8-4-17)30(24,25)22-9-11-26-12-10-22/h1-8H,9-15H2
InChIKeyAHTWAVYAPRJCQB-UHFFFAOYSA-N
XLogP3.08
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.98
LogP ≤ 53.08
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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Related Compounds

4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
2-(4-chlorophenoxy)ethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 38130843
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
2-(4-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578378
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
CID 27198916
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 55448562
3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide
CID 55464238
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate (CID 26970218) is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate is O=C(CSc1ccc(Cl)cc1)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is AHTWAVYAPRJCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO6S2/c21-16-1-5-18(6-2-16)29-15-20(23)28-14-13-27-17-3-7-19(8-4-17)30(24,25)22-9-11-26-12-10-22/h1-8H,9-15H2.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate?
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 471.98 g/mol, XLogP of 3.08, 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-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 26970218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).