2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide

C23H23N3O4S2 — CID 30850119

IUPAC2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide
SMILESCCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-4-16-6-10-18(11-7-16)26(3)32(27,28)20-14-15-31-21(20)23-24-22(25-30-23)17-8-12-19(13-9-17)29-5-2/h6-15H,4-5H2,1-3H3
InChIKeyWIYODAKVYPOLIG-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.25
Rot. Bonds8

About 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide

2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide (PubChem CID 30850119) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide
PubChem CID30850119
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC Name2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide
SMILESCCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-4-16-6-10-18(11-7-16)26(3)32(27,28)20-14-15-31-21(20)23-24-22(25-30-23)17-8-12-19(13-9-17)29-5-2/h6-15H,4-5H2,1-3H3
InChIKeyWIYODAKVYPOLIG-UHFFFAOYSA-N
XLogP5.25
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 53077475
2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
CID 27375392
N-(4-fluorophenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 27375494
N-(4-fluorophenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 27375148
2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide
CID 53077432
N-(4-ethoxyphenyl)-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821938
N-(3,4-dimethoxyphenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 53077450
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 45498593
N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 30850142
2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)-N-methylthiophene-3-sulfonamide
CID 30850192
N-(3-methoxyphenyl)-N-methyl-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 45499939
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 27375524

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide (CID 30850119) is 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide is CCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(CC)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is WIYODAKVYPOLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-4-16-6-10-18(11-7-16)26(3)32(27,28)20-14-15-31-21(20)23-24-22(25-30-23)17-8-12-19(13-9-17)29-5-2/h6-15H,4-5H2,1-3H3.
What are the key properties of 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide?
2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 469.59 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 30850119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).