N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide

C15H15N3O3S2 — CID 46380468

IUPACN-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(C)s3)n2)cc1
InChIInChI=1S/C15H15N3O3S2/c1-3-23(19,20)18-12-7-5-11(6-8-12)14-16-15(21-17-14)13-9-4-10(2)22-13/h4-9,18H,3H2,1-2H3
InChIKeyGAVUQXSNMRBOOP-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.54
Rot. Bonds5

About N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide

N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide (PubChem CID 46380468) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
PubChem CID46380468
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(C)s3)n2)cc1
InChIInChI=1S/C15H15N3O3S2/c1-3-23(19,20)18-12-7-5-11(6-8-12)14-16-15(21-17-14)13-9-4-10(2)22-13/h4-9,18H,3H2,1-2H3
InChIKeyGAVUQXSNMRBOOP-UHFFFAOYSA-N
XLogP3.54
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823022
N-[4-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823155
N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 50822971
N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370
N-[4-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823187
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53171763
N-(3,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821726
N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720243
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653412
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
N-[4-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 46380460

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide (CID 46380468) is N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(C)s3)n2)cc1.
What is the InChIKey of N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide?
The InChIKey is GAVUQXSNMRBOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-3-23(19,20)18-12-7-5-11(6-8-12)14-16-15(21-17-14)13-9-4-10(2)22-13/h4-9,18H,3H2,1-2H3.
What are the key properties of N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide?
N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide has a molecular weight of 349.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 46380468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).