2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate

C18H21NO7S — CID 27198916

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H21NO7S/c1-14-6-9-25-17(14)18(20)26-13-12-24-15-2-4-16(5-3-15)27(21,22)19-7-10-23-11-8-19/h2-6,9H,7-8,10-13H2,1H3
InChIKeyVKIJJBOJXNXEKA-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.84
Rot. Bonds7

About 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate

2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate (PubChem CID 27198916) has the molecular formula C18H21NO7S and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
PubChem CID27198916
Molecular FormulaC18H21NO7S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H21NO7S/c1-14-6-9-25-17(14)18(20)26-13-12-24-15-2-4-16(5-3-15)27(21,22)19-7-10-23-11-8-19/h2-6,9H,7-8,10-13H2,1H3
InChIKeyVKIJJBOJXNXEKA-UHFFFAOYSA-N
XLogP1.84
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.84
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

2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2652262
2-(4-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 1-methylindole-3-carboxylate
CID 26971853
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865
methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
CID 9331544
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 7699330
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate (CID 27198916) is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate is Cc1ccoc1C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate?
The InChIKey is VKIJJBOJXNXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7S/c1-14-6-9-25-17(14)18(20)26-13-12-24-15-2-4-16(5-3-15)27(21,22)19-7-10-23-11-8-19/h2-6,9H,7-8,10-13H2,1H3.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate?
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate has a molecular weight of 395.43 g/mol, XLogP of 1.84, 7 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 3-methylfuran-2-carboxylate is sourced from PubChem (CID 27198916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).