N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

C15H13N3O3S2 — CID 46380456

IUPACN-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2noc(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-23(19,20)18-12-6-4-11(5-7-12)15-16-14(21-17-15)9-8-13-3-2-10-22-13/h2-10,18H,1H3/b9-8+
InChIKeyOEHXIANYQLQWJP-CMDGGOBGSA-N
MW347.42 g/mol
LogP3.34
Rot. Bonds5

About N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (PubChem CID 46380456) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
PubChem CID46380456
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC NameN-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2noc(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-23(19,20)18-12-6-4-11(5-7-12)15-16-14(21-17-15)9-8-13-3-2-10-22-13/h2-10,18H,1H3/b9-8+
InChIKeyOEHXIANYQLQWJP-CMDGGOBGSA-N
XLogP3.34
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (CID 46380456) is N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2noc(/C=C/c3cccs3)n2)cc1.
What is the InChIKey of N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The InChIKey is OEHXIANYQLQWJP-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-23(19,20)18-12-6-4-11(5-7-12)15-16-14(21-17-15)9-8-13-3-2-10-22-13/h2-10,18H,1H3/b9-8+.
What are the key properties of N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 46380456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).