3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide

C15H15N3O3S2 — CID 90607773

IUPAC3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
SMILESCc1noc(-c2sccc2NS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H15N3O3S2/c1-9-4-5-12(8-10(9)2)23(19,20)18-13-6-7-22-14(13)15-16-11(3)17-21-15/h4-8,18H,1-3H3
InChIKeyFWAYKIPJSUGTLM-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.52
Rot. Bonds4

About 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide

3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide (PubChem CID 90607773) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
PubChem CID90607773
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
SMILESCc1noc(-c2sccc2NS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H15N3O3S2/c1-9-4-5-12(8-10(9)2)23(19,20)18-13-6-7-22-14(13)15-16-11(3)17-21-15/h4-8,18H,1-3H3
InChIKeyFWAYKIPJSUGTLM-UHFFFAOYSA-N
XLogP3.52
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90607798
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90607785
N-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]phenyl]acetamide
CID 90607762
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608190
4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608180
4-methoxy-3-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643631
methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate
CID 90608202
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607660
4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607709
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
1-(4-chlorophenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607712

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide (CID 90607773) is 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide is Cc1noc(-c2sccc2NS(=O)(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is FWAYKIPJSUGTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-9-4-5-12(8-10(9)2)23(19,20)18-13-6-7-22-14(13)15-16-11(3)17-21-15/h4-8,18H,1-3H3.
What are the key properties of 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 349.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 90607773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).