(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate

C12H9N3O6S2 — CID 55643790

IUPAC(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)OCc2noc(-c3cccs3)n2)o1
InChIInChI=1S/C12H9N3O6S2/c13-23(17,18)10-4-3-7(20-10)12(16)19-6-9-14-11(21-15-9)8-2-1-5-22-8/h1-5H,6H2,(H2,13,17,18)
InChIKeyGBNPIXAYWJXIBA-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.40
Rot. Bonds5

About (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate

(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643790) has the molecular formula C12H9N3O6S2 and a molecular weight of 355.35 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate
PubChem CID55643790
Molecular FormulaC12H9N3O6S2
Molecular Weight355.35 g/mol
Exact Mass354.99
IUPAC Name(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)OCc2noc(-c3cccs3)n2)o1
InChIInChI=1S/C12H9N3O6S2/c13-23(17,18)10-4-3-7(20-10)12(16)19-6-9-14-11(21-15-9)8-2-1-5-22-8/h1-5H,6H2,(H2,13,17,18)
InChIKeyGBNPIXAYWJXIBA-UHFFFAOYSA-N
XLogP1.40
TPSA138.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 4-bromobenzoate
CID 55448997
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate
CID 55448467
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 37326452
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 55934693
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 3-bromoadamantane-1-carboxylate
CID 55449102
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-methylsulfanyl-2-nitrobenzoate
CID 38548418
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091
(4-fluorophenyl)-[4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 38906192
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 55449054
5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 10014918
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 55449486

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate (CID 55643790) is (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate is NS(=O)(=O)c1ccc(C(=O)OCc2noc(-c3cccs3)n2)o1.
What is the InChIKey of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The InChIKey is GBNPIXAYWJXIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O6S2/c13-23(17,18)10-4-3-7(20-10)12(16)19-6-9-14-11(21-15-9)8-2-1-5-22-8/h1-5H,6H2,(H2,13,17,18).
What are the key properties of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate?
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).