4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C18H20N4O4S — CID 50747527

IUPAC4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1nc(CC)no1
InChIInChI=1S/C18H20N4O4S/c1-3-17-21-18(26-22-17)15-10-14(7-8-16(15)25-4-2)27(23,24)20-12-13-6-5-9-19-11-13/h5-11,20H,3-4,12H2,1-2H3
InChIKeyOKYGACKUXHQNDD-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.57
Rot. Bonds8

About 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 50747527) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID50747527
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1nc(CC)no1
InChIInChI=1S/C18H20N4O4S/c1-3-17-21-18(26-22-17)15-10-14(7-8-16(15)25-4-2)27(23,24)20-12-13-6-5-9-19-11-13/h5-11,20H,3-4,12H2,1-2H3
InChIKeyOKYGACKUXHQNDD-UHFFFAOYSA-N
XLogP2.57
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 50747527) is 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1nc(CC)no1.
What is the InChIKey of 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is OKYGACKUXHQNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-3-17-21-18(26-22-17)15-10-14(7-8-16(15)25-4-2)27(23,24)20-12-13-6-5-9-19-11-13/h5-11,20H,3-4,12H2,1-2H3.
What are the key properties of 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 50747527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).