1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate

C16H15N3O6S2 — CID 18209599

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate
SMILESCOc1ccc(-c2nnc(C(C)OC(=O)c3csc(S(N)(=O)=O)c3)o2)cc1
InChIInChI=1S/C16H15N3O6S2/c1-9(24-16(20)11-7-13(26-8-11)27(17,21)22)14-18-19-15(25-14)10-3-5-12(23-2)6-4-10/h3-9H,1-2H3,(H2,17,21,22)
InChIKeyDYVROADTCZPOPB-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.37
Rot. Bonds6

About 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate (PubChem CID 18209599) has the molecular formula C16H15N3O6S2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate
PubChem CID18209599
Molecular FormulaC16H15N3O6S2
Molecular Weight409.45 g/mol
Exact Mass409.04
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate
SMILESCOc1ccc(-c2nnc(C(C)OC(=O)c3csc(S(N)(=O)=O)c3)o2)cc1
InChIInChI=1S/C16H15N3O6S2/c1-9(24-16(20)11-7-13(26-8-11)27(17,21)22)14-18-19-15(25-14)10-3-5-12(23-2)6-4-10/h3-9H,1-2H3,(H2,17,21,22)
InChIKeyDYVROADTCZPOPB-UHFFFAOYSA-N
XLogP2.37
TPSA134.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3,4-dimethylbenzoate
CID 9290691
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1,3-benzothiazole-6-carboxylate
CID 18201347
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-fluorobenzoate
CID 9198579
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-bromobenzoate
CID 9017371
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(hydroxymethyl)benzoate
CID 8845492
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-methylsulfanylbenzoate
CID 18202659
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-bromopyridine-3-carboxylate
CID 9202698
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644708
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644714
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(dimethylamino)benzoate
CID 18201208
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8808670

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate (CID 18209599) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate is COc1ccc(-c2nnc(C(C)OC(=O)c3csc(S(N)(=O)=O)c3)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is DYVROADTCZPOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S2/c1-9(24-16(20)11-7-13(26-8-11)27(17,21)22)14-18-19-15(25-14)10-3-5-12(23-2)6-4-10/h3-9H,1-2H3,(H2,17,21,22).
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 409.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 18209599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).