N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide

C20H17N3O3S2 — CID 50821805

IUPACN-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C20H17N3O3S2/c1-14-18(28(24,25)21-13-15-8-4-2-5-9-15)12-17(27-14)20-22-19(23-26-20)16-10-6-3-7-11-16/h2-12,21H,13H2,1H3
InChIKeyKJQUAFPIXKLUED-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.25
Rot. Bonds6

About N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide

N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (PubChem CID 50821805) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
PubChem CID50821805
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C20H17N3O3S2/c1-14-18(28(24,25)21-13-15-8-4-2-5-9-15)12-17(27-14)20-22-19(23-26-20)16-10-6-3-7-11-16/h2-12,21H,13H2,1H3
InChIKeyKJQUAFPIXKLUED-UHFFFAOYSA-N
XLogP4.25
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821963
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50822038
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50822110
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50821694
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821350
N-(4-fluoro-2-methylphenyl)-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821747
N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 46397233
5-[4-(azepan-1-ylsulfonyl)-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822010
N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835233
N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821260
N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821938
5-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822109

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (CID 50821805) is N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is KJQUAFPIXKLUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-14-18(28(24,25)21-13-15-8-4-2-5-9-15)12-17(27-14)20-22-19(23-26-20)16-10-6-3-7-11-16/h2-12,21H,13H2,1H3.
What are the key properties of N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 411.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50821805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).