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

C20H19NO7S — CID 140834171

IUPAC[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCOc1ccccc1C1(C)OC(NS(=O)(=O)c2ccccc2)=C(OC(C)=O)C1=O
InChIInChI=1S/C20H19NO7S/c1-13(22)27-17-18(23)20(2,15-11-7-8-12-16(15)26-3)28-19(17)21-29(24,25)14-9-5-4-6-10-14/h4-12,21H,1-3H3
InChIKeyLYVKDPFAGUGBKD-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.22
Rot. Bonds6

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

[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140834171) has the molecular formula C20H19NO7S and a molecular weight of 417.44 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140834171
Molecular FormulaC20H19NO7S
Molecular Weight417.44 g/mol
Exact Mass417.09
IUPAC Name[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCOc1ccccc1C1(C)OC(NS(=O)(=O)c2ccccc2)=C(OC(C)=O)C1=O
InChIInChI=1S/C20H19NO7S/c1-13(22)27-17-18(23)20(2,15-11-7-8-12-16(15)26-3)28-19(17)21-29(24,25)14-9-5-4-6-10-14/h4-12,21H,1-3H3
InChIKeyLYVKDPFAGUGBKD-UHFFFAOYSA-N
XLogP2.22
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140834171) is [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate is COc1ccccc1C1(C)OC(NS(=O)(=O)c2ccccc2)=C(OC(C)=O)C1=O.
What is the InChIKey of [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is LYVKDPFAGUGBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7S/c1-13(22)27-17-18(23)20(2,15-11-7-8-12-16(15)26-3)28-19(17)21-29(24,25)14-9-5-4-6-10-14/h4-12,21H,1-3H3.
What are the key properties of [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 417.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140834171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).