ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate

C19H20N2O8S — CID 20866117

IUPACethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)ccc21
InChIInChI=1S/C19H20N2O8S/c1-4-28-18(22)11-21-15-8-6-13(10-17(15)29-19(21)23)30(24,25)20-14-7-5-12(26-2)9-16(14)27-3/h5-10,20H,4,11H2,1-3H3
InChIKeyGZYPGCBSGDTLGX-UHFFFAOYSA-N
MW436.44 g/mol
LogP1.98
Rot. Bonds8

About ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate

ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 20866117) has the molecular formula C19H20N2O8S and a molecular weight of 436.44 g/mol. Its IUPAC name is ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
PubChem CID20866117
Molecular FormulaC19H20N2O8S
Molecular Weight436.44 g/mol
Exact Mass436.09
IUPAC Nameethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)ccc21
InChIInChI=1S/C19H20N2O8S/c1-4-28-18(22)11-21-15-8-6-13(10-17(15)29-19(21)23)30(24,25)20-14-7-5-12(26-2)9-16(14)27-3/h5-10,20H,4,11H2,1-3H3
InChIKeyGZYPGCBSGDTLGX-UHFFFAOYSA-N
XLogP1.98
TPSA126.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-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

ethyl 2-[6-[(2,4-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 126457215
propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051993
methyl 2-[6-[(4-chloro-2-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051904
ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate
CID 6622485
methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051804
methyl 2-[6-[(2,5-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051796
methyl 2-[2-oxo-6-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
CID 53051912
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 6619734
methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051909
propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051968
methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051808

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 20866117) is ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)ccc21.
What is the InChIKey of ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The InChIKey is GZYPGCBSGDTLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O8S/c1-4-28-18(22)11-21-15-8-6-13(10-17(15)29-19(21)23)30(24,25)20-14-7-5-12(26-2)9-16(14)27-3/h5-10,20H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 436.44 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 20866117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).