ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate

C22H24N2O6S — CID 12051741

IUPACethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H24N2O6S/c1-3-28-21(25)15-31(26,27)24-18-9-11-19(12-10-18)29-14-13-20-16(2)30-22(23-20)17-7-5-4-6-8-17/h4-12,24H,3,13-15H2,1-2H3
InChIKeyQTTNDTWIZVWGIY-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.58
Rot. Bonds10

About ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate

ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate (PubChem CID 12051741) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate
PubChem CID12051741
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC Nameethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H24N2O6S/c1-3-28-21(25)15-31(26,27)24-18-9-11-19(12-10-18)29-14-13-20-16(2)30-22(23-20)17-7-5-4-6-8-17/h4-12,24H,3,13-15H2,1-2H3
InChIKeyQTTNDTWIZVWGIY-UHFFFAOYSA-N
XLogP3.58
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate?
The IUPAC name of ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate (CID 12051741) is ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate?
The InChIKey is QTTNDTWIZVWGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-3-28-21(25)15-31(26,27)24-18-9-11-19(12-10-18)29-14-13-20-16(2)30-22(23-20)17-7-5-4-6-8-17/h4-12,24H,3,13-15H2,1-2H3.
What are the key properties of ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate?
ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate has a molecular weight of 444.51 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetate is sourced from PubChem (CID 12051741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).