[2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate

C15H17NO7S — CID 140834161

IUPAC[2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCOc1ccccc1C1(C)OC(NS(C)(=O)=O)=C(OC(C)=O)C1=O
InChIInChI=1S/C15H17NO7S/c1-9(17)22-12-13(18)15(2,23-14(12)16-24(4,19)20)10-7-5-6-8-11(10)21-3/h5-8,16H,1-4H3
InChIKeyJITUTCSVRDMCOX-UHFFFAOYSA-N
MW355.37 g/mol
LogP0.79
Rot. Bonds5

About [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate

[2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140834161) has the molecular formula C15H17NO7S and a molecular weight of 355.37 g/mol. Its IUPAC name is [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140834161
Molecular FormulaC15H17NO7S
Molecular Weight355.37 g/mol
Exact Mass355.07
IUPAC Name[2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCOc1ccccc1C1(C)OC(NS(C)(=O)=O)=C(OC(C)=O)C1=O
InChIInChI=1S/C15H17NO7S/c1-9(17)22-12-13(18)15(2,23-14(12)16-24(4,19)20)10-7-5-6-8-11(10)21-3/h5-8,16H,1-4H3
InChIKeyJITUTCSVRDMCOX-UHFFFAOYSA-N
XLogP0.79
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834171
[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833655
[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833781
[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate
CID 140834227
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate
CID 140833803
[5-(2,3-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]-5-methyl-4-oxofuran-3-yl] acetate
CID 174753565
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate
CID 140834438
[5-(2,5-dimethoxyphenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834386
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833569
N-[3-hydroxy-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
CID 174753590
[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833950

Frequently Asked Questions

What is the IUPAC name of [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140834161) is [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate is COc1ccccc1C1(C)OC(NS(C)(=O)=O)=C(OC(C)=O)C1=O.
What is the InChIKey of [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is JITUTCSVRDMCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO7S/c1-9(17)22-12-13(18)15(2,23-14(12)16-24(4,19)20)10-7-5-6-8-11(10)21-3/h5-8,16H,1-4H3.
What are the key properties of [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 355.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140834161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).