ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate

C22H24N2O6S — CID 20941084

IUPACethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)on1
InChIInChI=1S/C22H24N2O6S/c1-4-24(15-16-9-7-6-8-10-16)31(26,27)21-13-17(11-12-19(21)28-3)20-14-18(23-30-20)22(25)29-5-2/h6-14H,4-5,15H2,1-3H3
InChIKeyRJXSCAHWEPLLHO-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.74
Rot. Bonds9

About ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate (PubChem CID 20941084) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
PubChem CID20941084
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC Nameethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)on1
InChIInChI=1S/C22H24N2O6S/c1-4-24(15-16-9-7-6-8-10-16)31(26,27)21-13-17(11-12-19(21)28-3)20-14-18(23-30-20)22(25)29-5-2/h6-14H,4-5,15H2,1-3H3
InChIKeyRJXSCAHWEPLLHO-UHFFFAOYSA-N
XLogP3.74
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-1,2-oxazole-3-carboxylate
CID 20941019
ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941009
ethyl 5-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941007
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084
ethyl 5-[3-[2-(furan-2-yl)ethylsulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941119
ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate
CID 20941103
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512591
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
N-benzyl-2-methoxy-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036299

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate (CID 20941084) is ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)on1.
What is the InChIKey of ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is RJXSCAHWEPLLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-4-24(15-16-9-7-6-8-10-16)31(26,27)21-13-17(11-12-19(21)28-3)20-14-18(23-30-20)22(25)29-5-2/h6-14H,4-5,15H2,1-3H3.
What are the key properties of ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 444.51 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 20941084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).