4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide

C16H17N3O4S2 — CID 110323282

IUPAC4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C16H17N3O4S2/c1-2-22-12-5-7-13(8-6-12)25(20,21)17-10-9-15-18-16(19-23-15)14-4-3-11-24-14/h3-8,11,17H,2,9-10H2,1H3
InChIKeyHSTQPVHCDYEUMY-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.72
Rot. Bonds8

About 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide

4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110323282) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110323282
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C16H17N3O4S2/c1-2-22-12-5-7-13(8-6-12)25(20,21)17-10-9-15-18-16(19-23-15)14-4-3-11-24-14/h3-8,11,17H,2,9-10H2,1H3
InChIKeyHSTQPVHCDYEUMY-UHFFFAOYSA-N
XLogP2.72
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322547
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
4-methoxy-2-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323250
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110323255
2,5-dimethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323254
5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 110323234
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4897923
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24503205
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4870862
4-nitro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 92801370
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
4-ethoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320918

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 110323282) is 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is HSTQPVHCDYEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-2-22-12-5-7-13(8-6-12)25(20,21)17-10-9-15-18-16(19-23-15)14-4-3-11-24-14/h3-8,11,17H,2,9-10H2,1H3.
What are the key properties of 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 379.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110323282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).