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

C20H17N3O4S2 — CID 46380533

IUPACN-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
SMILESCCOc1ccccc1-c1nc(-c2ccc(NS(=O)(=O)c3cccs3)cc2)no1
InChIInChI=1S/C20H17N3O4S2/c1-2-26-17-7-4-3-6-16(17)20-21-19(22-27-20)14-9-11-15(12-10-14)23-29(24,25)18-8-5-13-28-18/h3-13,23H,2H2,1H3
InChIKeyLUERXNWXNRRJPA-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.66
Rot. Bonds7

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

N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 46380533) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
PubChem CID46380533
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC NameN-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
SMILESCCOc1ccccc1-c1nc(-c2ccc(NS(=O)(=O)c3cccs3)cc2)no1
InChIInChI=1S/C20H17N3O4S2/c1-2-26-17-7-4-3-6-16(17)20-21-19(22-27-20)14-9-11-15(12-10-14)23-29(24,25)18-8-5-13-28-18/h3-13,23H,2H2,1H3
InChIKeyLUERXNWXNRRJPA-UHFFFAOYSA-N
XLogP4.66
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380535
N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380546
N-[4-[3-(2-prop-2-ynoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
CID 167784843
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380545
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 27655967
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
CID 162620900
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
CID 8824209

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide (CID 46380533) is N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide is CCOc1ccccc1-c1nc(-c2ccc(NS(=O)(=O)c3cccs3)cc2)no1.
What is the InChIKey of N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The InChIKey is LUERXNWXNRRJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c1-2-26-17-7-4-3-6-16(17)20-21-19(22-27-20)14-9-11-15(12-10-14)23-29(24,25)18-8-5-13-28-18/h3-13,23H,2H2,1H3.
What are the key properties of N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 427.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46380533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).