N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide

C21H19N3O4S2 — CID 27375461

IUPACN-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C21H19N3O4S2/c1-14-4-6-15(7-5-14)20-22-21(28-23-20)19-18(12-13-29-19)30(25,26)24(2)16-8-10-17(27-3)11-9-16/h4-13H,1-3H3
InChIKeyKTSXNYBWJWLIQY-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.61
Rot. Bonds6

About N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide

N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide (PubChem CID 27375461) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
PubChem CID27375461
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C21H19N3O4S2/c1-14-4-6-15(7-5-14)20-22-21(28-23-20)19-18(12-13-29-19)30(25,26)24(2)16-8-10-17(27-3)11-9-16/h4-13H,1-3H3
InChIKeyKTSXNYBWJWLIQY-UHFFFAOYSA-N
XLogP4.61
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-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

Related Compounds

4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 155539552
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1291767
6-Methoxy-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-ol
CID 939022
3-(4-ethoxyphenyl)-2-(((3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)thieno[3,2-d]pyrimidin-4(3H)-one
CID 27373269
N-(4-fluorophenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 27375148
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-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375518
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-fluoro-4-methylphenyl)-N-methyl-2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}thiophene-3-sulfonamide
CID 27375522
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 27375525

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide (CID 27375461) is N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide?
The InChIKey is KTSXNYBWJWLIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-14-4-6-15(7-5-14)20-22-21(28-23-20)19-18(12-13-29-19)30(25,26)24(2)16-8-10-17(27-3)11-9-16/h4-13H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide?
N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide has a molecular weight of 441.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 27375461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).