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

C21H22N2O6S — CID 20941009

IUPACethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccccc3CC)c2)on1
InChIInChI=1S/C21H22N2O6S/c1-4-14-8-6-7-9-16(14)23-30(25,26)20-12-15(10-11-18(20)27-3)19-13-17(22-29-19)21(24)28-5-2/h6-13,23H,4-5H2,1-3H3
InChIKeyJQBNVCQESNIJOO-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.89
Rot. Bonds8

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

ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate (PubChem CID 20941009) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
PubChem CID20941009
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Nameethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccccc3CC)c2)on1
InChIInChI=1S/C21H22N2O6S/c1-4-14-8-6-7-9-16(14)23-30(25,26)20-12-15(10-11-18(20)27-3)19-13-17(22-29-19)21(24)28-5-2/h6-13,23H,4-5H2,1-3H3
InChIKeyJQBNVCQESNIJOO-UHFFFAOYSA-N
XLogP3.89
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941007
ethyl 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-1,2-oxazole-3-carboxylate
CID 20941019
ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate
CID 20941103
ethyl 5-[3-[2-(furan-2-yl)ethylsulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941119
ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941084
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095046
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 53054230
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935126
N-[4-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133239
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate (CID 20941009) is ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccccc3CC)c2)on1.
What is the InChIKey of ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is JQBNVCQESNIJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-4-14-8-6-7-9-16(14)23-30(25,26)20-12-15(10-11-18(20)27-3)19-13-17(22-29-19)21(24)28-5-2/h6-13,23H,4-5H2,1-3H3.
What are the key properties of ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 430.48 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 20941009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).