[5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate

C17H21NO8S — CID 90080827

IUPAC[5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate
SMILESCCCS(=O)(=O)Nc1oc(-c2c(OC)cccc2OC)c(O)c1OC(C)=O
InChIInChI=1S/C17H21NO8S/c1-5-9-27(21,22)18-17-16(25-10(2)19)14(20)15(26-17)13-11(23-3)7-6-8-12(13)24-4/h6-8,18,20H,5,9H2,1-4H3
InChIKeyRJZVSMCTFUSXOY-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.75
Rot. Bonds8

About [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate

[5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate (PubChem CID 90080827) has the molecular formula C17H21NO8S and a molecular weight of 399.42 g/mol. Its IUPAC name is [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate
PubChem CID90080827
Molecular FormulaC17H21NO8S
Molecular Weight399.42 g/mol
Exact Mass399.10
IUPAC Name[5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate
SMILESCCCS(=O)(=O)Nc1oc(-c2c(OC)cccc2OC)c(O)c1OC(C)=O
InChIInChI=1S/C17H21NO8S/c1-5-9-27(21,22)18-17-16(25-10(2)19)14(20)15(26-17)13-11(23-3)7-6-8-12(13)24-4/h6-8,18,20H,5,9H2,1-4H3
InChIKeyRJZVSMCTFUSXOY-UHFFFAOYSA-N
XLogP2.75
TPSA124.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(2,6-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
CID 90080826
[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate
CID 90080934
[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid
CID 152514048
[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081966
[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
CID 90080921
[5-(2,6-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
CID 90081671
[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
CID 90082253
[2-amino-5-(2,6-dimethoxyphenyl)-4-hydroxyfuran-3-yl] phenylmethanesulfonate
CID 123361953
[2-(benzenesulfonamido)-5-(3-chloro-2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081582
(2-methoxy-6-propylphenyl) acetate
CID 170893292
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081276
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate?
The IUPAC name of [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate (CID 90080827) is [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate.
What is the SMILES notation for [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate?
The canonical SMILES for [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate is CCCS(=O)(=O)Nc1oc(-c2c(OC)cccc2OC)c(O)c1OC(C)=O.
What is the InChIKey of [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate?
The InChIKey is RJZVSMCTFUSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO8S/c1-5-9-27(21,22)18-17-16(25-10(2)19)14(20)15(26-17)13-11(23-3)7-6-8-12(13)24-4/h6-8,18,20H,5,9H2,1-4H3.
What are the key properties of [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate?
[5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate has a molecular weight of 399.42 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate is sourced from PubChem (CID 90080827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).