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

C22H21N3O6S2 — CID 27375467

IUPAC2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(OC)cc3OC)no2)cc1
InChIInChI=1S/C22H21N3O6S2/c1-25(14-5-7-15(28-2)8-6-14)33(26,27)19-11-12-32-20(19)22-23-21(24-31-22)17-10-9-16(29-3)13-18(17)30-4/h5-13H,1-4H3
InChIKeyRRJKCUVXUNUEDU-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.32
Rot. Bonds8

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

2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide (PubChem CID 27375467) has the molecular formula C22H21N3O6S2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide
PubChem CID27375467
Molecular FormulaC22H21N3O6S2
Molecular Weight487.56 g/mol
Exact Mass487.09
IUPAC Name2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(OC)cc3OC)no2)cc1
InChIInChI=1S/C22H21N3O6S2/c1-25(14-5-7-15(28-2)8-6-14)33(26,27)19-11-12-32-20(19)22-23-21(24-31-22)17-10-9-16(29-3)13-18(17)30-4/h5-13H,1-4H3
InChIKeyRRJKCUVXUNUEDU-UHFFFAOYSA-N
XLogP4.32
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide (CID 27375467) is 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(OC)cc3OC)no2)cc1.
What is the InChIKey of 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is RRJKCUVXUNUEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S2/c1-25(14-5-7-15(28-2)8-6-14)33(26,27)19-11-12-32-20(19)22-23-21(24-31-22)17-10-9-16(29-3)13-18(17)30-4/h5-13H,1-4H3.
What are the key properties of 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide?
2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 487.56 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 27375467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).