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

C19H20N2O6S — CID 6619734

IUPACethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O6S/c1-3-26-18(22)13-21-16-10-9-15(11-17(16)27-19(21)23)28(24,25)20(2)12-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3
InChIKeyJKHDNQYWEPIBQS-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.98
Rot. Bonds7

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

ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 6619734) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
PubChem CID6619734
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Nameethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O6S/c1-3-26-18(22)13-21-16-10-9-15(11-17(16)27-19(21)23)28(24,25)20(2)12-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3
InChIKeyJKHDNQYWEPIBQS-UHFFFAOYSA-N
XLogP1.98
TPSA98.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
methyl 2-[6-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051865
ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate
CID 6622485
2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
CID 19259989
N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677099
ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 20866117
ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate
CID 19260029
methyl 2-[6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 95063559
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
ethyl 2-[6-[(2,4-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 126457215
ethyl 2-[6-acetamido-2-[4-[benzyl(methyl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 4120278
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 6619734) is ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21.
What is the InChIKey of ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The InChIKey is JKHDNQYWEPIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-3-26-18(22)13-21-16-10-9-15(11-17(16)27-19(21)23)28(24,25)20(2)12-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 404.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 6619734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).