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

C20H16FN3O4S2 — CID 27375472

IUPAC2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C20H16FN3O4S2/c1-24(15-7-9-16(27-2)10-8-15)30(25,26)17-11-12-29-18(17)20-22-19(23-28-20)13-3-5-14(21)6-4-13/h3-12H,1-2H3
InChIKeyPQXOYADJCLQAHC-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.44
Rot. Bonds6

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

2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide (PubChem CID 27375472) has the molecular formula C20H16FN3O4S2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide
PubChem CID27375472
Molecular FormulaC20H16FN3O4S2
Molecular Weight445.50 g/mol
Exact Mass445.06
IUPAC Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C20H16FN3O4S2/c1-24(15-7-9-16(27-2)10-8-15)30(25,26)17-11-12-29-18(17)20-22-19(23-28-20)13-3-5-14(21)6-4-13/h3-12H,1-2H3
InChIKeyPQXOYADJCLQAHC-UHFFFAOYSA-N
XLogP4.44
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(3-fluoro-4-methylphenyl)-N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 27375513
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
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 27375527

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide (CID 27375472) is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is PQXOYADJCLQAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4S2/c1-24(15-7-9-16(27-2)10-8-15)30(25,26)17-11-12-29-18(17)20-22-19(23-28-20)13-3-5-14(21)6-4-13/h3-12H,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide?
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 445.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 27375472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).