methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate

C18H21NO7S — CID 9331544

IUPACmethyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc1C
InChIInChI=1S/C18H21NO7S/c1-13-17(18(20)23-2)11-15(26-13)12-25-14-3-5-16(6-4-14)27(21,22)19-7-9-24-10-8-19/h3-6,11H,7-10,12H2,1-2H3
InChIKeyYCLJKYWUHLJTEL-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.97
Rot. Bonds6

About methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate

methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate (PubChem CID 9331544) has the molecular formula C18H21NO7S and a molecular weight of 395.43 g/mol. Its IUPAC name is methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
PubChem CID9331544
Molecular FormulaC18H21NO7S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC Namemethyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc1C
InChIInChI=1S/C18H21NO7S/c1-13-17(18(20)23-2)11-15(26-13)12-25-14-3-5-16(6-4-14)27(21,22)19-7-9-24-10-8-19/h3-6,11H,7-10,12H2,1-2H3
InChIKeyYCLJKYWUHLJTEL-UHFFFAOYSA-N
XLogP1.97
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]sulfonylmorpholine
CID 39413047
methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate
CID 2231422
methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 78767749
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
5-[(4-ethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19446653
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2652262
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate (CID 9331544) is methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate is COC(=O)c1cc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate?
The InChIKey is YCLJKYWUHLJTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7S/c1-13-17(18(20)23-2)11-15(26-13)12-25-14-3-5-16(6-4-14)27(21,22)19-7-9-24-10-8-19/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate?
methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate has a molecular weight of 395.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate is sourced from PubChem (CID 9331544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).