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

C17H19N3O4S2 — CID 110324199

IUPAC5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccc(OC)c3)no2)s1
InChIInChI=1S/C17H19N3O4S2/c1-3-14-7-8-16(25-14)26(21,22)18-10-9-15-19-17(20-24-15)12-5-4-6-13(11-12)23-2/h4-8,11,18H,3,9-10H2,1-2H3
InChIKeyOGJBJKJWWRJQOJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.89
Rot. Bonds8

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

5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 110324199) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide
PubChem CID110324199
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccc(OC)c3)no2)s1
InChIInChI=1S/C17H19N3O4S2/c1-3-14-7-8-16(25-14)26(21,22)18-10-9-15-19-17(20-24-15)12-5-4-6-13(11-12)23-2/h4-8,11,18H,3,9-10H2,1-2H3
InChIKeyOGJBJKJWWRJQOJ-UHFFFAOYSA-N
XLogP2.89
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110324188
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylethanesulfonamide
CID 110324207
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4897923
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4870862
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110323025
5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 110322885
5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 110326084
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110324143
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 110323036

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide (CID 110324199) is 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2nc(-c3cccc(OC)c3)no2)s1.
What is the InChIKey of 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is OGJBJKJWWRJQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-3-14-7-8-16(25-14)26(21,22)18-10-9-15-19-17(20-24-15)12-5-4-6-13(11-12)23-2/h4-8,11,18H,3,9-10H2,1-2H3.
What are the key properties of 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110324199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).