[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate

C18H21NO8S — CID 55730700

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C18H21NO8S/c1-12(20)13-5-7-15(16(9-13)24-4)25-11-17(21)26-10-14-6-8-18(27-14)28(22,23)19(2)3/h5-9H,10-11H2,1-4H3
InChIKeySTRDISVXCMWFTE-UHFFFAOYSA-N
MW411.43 g/mol
LogP1.86
Rot. Bonds9

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate (PubChem CID 55730700) has the molecular formula C18H21NO8S and a molecular weight of 411.43 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
PubChem CID55730700
Molecular FormulaC18H21NO8S
Molecular Weight411.43 g/mol
Exact Mass411.10
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C18H21NO8S/c1-12(20)13-5-7-15(16(9-13)24-4)25-11-17(21)26-10-14-6-8-18(27-14)28(22,23)19(2)3/h5-9H,10-11H2,1-4H3
InChIKeySTRDISVXCMWFTE-UHFFFAOYSA-N
XLogP1.86
TPSA112.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate with MolForge

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Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 55730493
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate
CID 55730705
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-bromo-5-methoxy-4-propoxybenzoate
CID 55730566
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
(3-nitrophenyl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539649
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902722
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902820
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
CID 55998995
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55479722
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 55730465

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate (CID 55730700) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate is COc1cc(C(C)=O)ccc1OCC(=O)OCc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate?
The InChIKey is STRDISVXCMWFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO8S/c1-12(20)13-5-7-15(16(9-13)24-4)25-11-17(21)26-10-14-6-8-18(27-14)28(22,23)19(2)3/h5-9H,10-11H2,1-4H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate has a molecular weight of 411.43 g/mol, XLogP of 1.86, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 55730700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).