2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide

C22H20FN3O5S2 — CID 27375518

IUPAC2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
SMILESCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(F)c3)n2)c(OC)c1
InChIInChI=1S/C22H20FN3O5S2/c1-13-5-6-14(11-17(13)23)26(2)33(27,28)19-9-10-32-20(19)22-24-21(25-31-22)16-8-7-15(29-3)12-18(16)30-4/h5-12H,1-4H3
InChIKeyGCPUYLAGGFPICF-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.75
Rot. Bonds7

About 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide

2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide (PubChem CID 27375518) has the molecular formula C22H20FN3O5S2 and a molecular weight of 489.55 g/mol. Its IUPAC name is 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
PubChem CID27375518
Molecular FormulaC22H20FN3O5S2
Molecular Weight489.55 g/mol
Exact Mass489.08
IUPAC Name2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
SMILESCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(F)c3)n2)c(OC)c1
InChIInChI=1S/C22H20FN3O5S2/c1-13-5-6-14(11-17(13)23)26(2)33(27,28)19-9-10-32-20(19)22-24-21(25-31-22)16-8-7-15(29-3)12-18(16)30-4/h5-12H,1-4H3
InChIKeyGCPUYLAGGFPICF-UHFFFAOYSA-N
XLogP4.75
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(((3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)-3-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 27373279
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide
CID 27375472
2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375517
2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375520
2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375521
N-(3,4-difluorophenyl)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 30850182
2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-(3,4-difluorophenyl)-N-methylthiophene-3-sulfonamide
CID 30850183
2-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27373173
3-benzyl-2-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27373427
2-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(2-methylpropyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27374128
N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 27375431
2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375437

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide (CID 27375518) is 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide is COc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(F)c3)n2)c(OC)c1.
What is the InChIKey of 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is GCPUYLAGGFPICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5S2/c1-13-5-6-14(11-17(13)23)26(2)33(27,28)19-9-10-32-20(19)22-24-21(25-31-22)16-8-7-15(29-3)12-18(16)30-4/h5-12H,1-4H3.
What are the key properties of 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide?
2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 489.55 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 27375518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).