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

C14H13N3O3S2 — CID 50822971

IUPACN-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESCc1ccsc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1
InChIInChI=1S/C14H13N3O3S2/c1-9-7-8-21-12(9)14-15-13(16-20-14)10-3-5-11(6-4-10)17-22(2,18)19/h3-8,17H,1-2H3
InChIKeyBEXZMLGSJILDBN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.15
Rot. Bonds4

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

N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (PubChem CID 50822971) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
PubChem CID50822971
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESCc1ccsc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1
InChIInChI=1S/C14H13N3O3S2/c1-9-7-8-21-12(9)14-15-13(16-20-14)10-3-5-11(6-4-10)17-22(2,18)19/h3-8,17H,1-2H3
InChIKeyBEXZMLGSJILDBN-UHFFFAOYSA-N
XLogP3.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 46380456
3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11483040
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 118730579
N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 46380468
N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 135964979
2-ethyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141093
N-[1-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 50822972
N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823022
N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 154834393
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
methyl 4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 22147847
N-(4-fluorophenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 27375494

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (CID 50822971) is N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is Cc1ccsc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1.
What is the InChIKey of N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The InChIKey is BEXZMLGSJILDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-9-7-8-21-12(9)14-15-13(16-20-14)10-3-5-11(6-4-10)17-22(2,18)19/h3-8,17H,1-2H3.
What are the key properties of N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide has a molecular weight of 335.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 50822971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).