N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide

C14H13N3O3S2 — CID 53278309

IUPACN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1-c1noc(CNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C14H13N3O3S2/c1-10-5-2-3-6-11(10)14-16-12(20-17-14)9-15-22(18,19)13-7-4-8-21-13/h2-8,15H,9H2,1H3
InChIKeyVLOFPUJERLFKGZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.59
Rot. Bonds5

About N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 53278309) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
PubChem CID53278309
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1-c1noc(CNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C14H13N3O3S2/c1-10-5-2-3-6-11(10)14-16-12(20-17-14)9-15-22(18,19)13-7-4-8-21-13/h2-8,15H,9H2,1H3
InChIKeyVLOFPUJERLFKGZ-UHFFFAOYSA-N
XLogP2.59
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
2,4-dimethoxy-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322786
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110323112
5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide
CID 20965812
2,2,2-trifluoro-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 78914987
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 66485528
phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322766
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylbenzenesulfonamide
CID 110322963
2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323716
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 90563140

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide (CID 53278309) is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide is Cc1ccccc1-c1noc(CNS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is VLOFPUJERLFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-10-5-2-3-6-11(10)14-16-12(20-17-14)9-15-22(18,19)13-7-4-8-21-13/h2-8,15H,9H2,1H3.
What are the key properties of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53278309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).