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

C21H21NO8S — CID 140833781

IUPAC[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCOc1ccc(C2(C)OC(NS(=O)(=O)c3ccccc3)=C(OC(C)=O)C2=O)c(OC)c1
InChIInChI=1S/C21H21NO8S/c1-13(23)29-18-19(24)21(2,16-11-10-14(27-3)12-17(16)28-4)30-20(18)22-31(25,26)15-8-6-5-7-9-15/h5-12,22H,1-4H3
InChIKeyCDMWXGXSRZHAGL-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.23
Rot. Bonds7

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

[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833781) has the molecular formula C21H21NO8S and a molecular weight of 447.47 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833781
Molecular FormulaC21H21NO8S
Molecular Weight447.47 g/mol
Exact Mass447.10
IUPAC Name[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCOc1ccc(C2(C)OC(NS(=O)(=O)c3ccccc3)=C(OC(C)=O)C2=O)c(OC)c1
InChIInChI=1S/C21H21NO8S/c1-13(23)29-18-19(24)21(2,16-11-10-14(27-3)12-17(16)28-4)30-20(18)22-31(25,26)15-8-6-5-7-9-15/h5-12,22H,1-4H3
InChIKeyCDMWXGXSRZHAGL-UHFFFAOYSA-N
XLogP2.23
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834171
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate
CID 140833803
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate
CID 140834227
[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate
CID 21409256
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
N-[2-(benzenesulfonamido)ethyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 113061278
N-(2,4-dimethoxyphenyl)-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide
CID 168538130
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833834
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
[2-(benzenesulfonamido)-4-chlorophenyl] acetate
CID 51700783

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833781) is [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate is COc1ccc(C2(C)OC(NS(=O)(=O)c3ccccc3)=C(OC(C)=O)C2=O)c(OC)c1.
What is the InChIKey of [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is CDMWXGXSRZHAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO8S/c1-13(23)29-18-19(24)21(2,16-11-10-14(27-3)12-17(16)28-4)30-20(18)22-31(25,26)15-8-6-5-7-9-15/h5-12,22H,1-4H3.
What are the key properties of [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 447.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).