1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate

C14H17N3O6S — CID 55546419

IUPAC1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OC(C)c2nc(C)no2)ccc1OC
InChIInChI=1S/C14H17N3O6S/c1-8(13-16-9(2)17-23-13)22-14(18)10-5-6-11(21-4)12(7-10)24(19,20)15-3/h5-8,15H,1-4H3
InChIKeyLJKCXTUSIASKHX-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.21
Rot. Bonds6

About 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate

1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate (PubChem CID 55546419) has the molecular formula C14H17N3O6S and a molecular weight of 355.37 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
PubChem CID55546419
Molecular FormulaC14H17N3O6S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OC(C)c2nc(C)no2)ccc1OC
InChIInChI=1S/C14H17N3O6S/c1-8(13-16-9(2)17-23-13)22-14(18)10-5-6-11(21-4)12(7-10)24(19,20)15-3/h5-8,15H,1-4H3
InChIKeyLJKCXTUSIASKHX-UHFFFAOYSA-N
XLogP1.21
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 9475068
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563446
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55546344
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(tert-butylsulfamoyl)-4-methoxybenzoate
CID 55562667
[(1S)-1-cyanoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974456
[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate
CID 31437668
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563330
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55530797
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55475264
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974481
[2-(3-methylbutylamino)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974295
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 8988403

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate (CID 55546419) is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The canonical SMILES for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OC(C)c2nc(C)no2)ccc1OC.
What is the InChIKey of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The InChIKey is LJKCXTUSIASKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6S/c1-8(13-16-9(2)17-23-13)22-14(18)10-5-6-11(21-4)12(7-10)24(19,20)15-3/h5-8,15H,1-4H3.
What are the key properties of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate?
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate has a molecular weight of 355.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 55546419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).