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

C23H23N3O4S2 — CID 27375431

IUPACN-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
SMILESCCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-5-29-19-8-6-17(7-9-19)22-24-23(30-25-22)21-20(10-11-31-21)32(27,28)26(4)18-13-15(2)12-16(3)14-18/h6-14H,5H2,1-4H3
InChIKeyGHNNOFMSFRLUMQ-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.31
Rot. Bonds7

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

N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide (PubChem CID 27375431) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
PubChem CID27375431
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
SMILESCCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-5-29-19-8-6-17(7-9-19)22-24-23(30-25-22)21-20(10-11-31-21)32(27,28)26(4)18-13-15(2)12-16(3)14-18/h6-14H,5H2,1-4H3
InChIKeyGHNNOFMSFRLUMQ-UHFFFAOYSA-N
XLogP5.31
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide (CID 27375431) is N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide is CCOc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide?
The InChIKey is GHNNOFMSFRLUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-5-29-19-8-6-17(7-9-19)22-24-23(30-25-22)21-20(10-11-31-21)32(27,28)26(4)18-13-15(2)12-16(3)14-18/h6-14H,5H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide?
N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide has a molecular weight of 469.59 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 27375431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).