3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C18H25N3O5S — CID 92870386

IUPAC3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1noc(C(C)(C)C)n1
InChIInChI=1S/C18H25N3O5S/c1-18(2,3)17-20-16(21-26-17)14-10-13(7-8-15(14)24-4)27(22,23)19-11-12-6-5-9-25-12/h7-8,10,12,19H,5-6,9,11H2,1-4H3/t12-/m1/s1
InChIKeyFEORQLFMUMORRL-GFCCVEGCSA-N
MW395.48 g/mol
LogP2.50
Rot. Bonds6

About 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 92870386) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID92870386
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1noc(C(C)(C)C)n1
InChIInChI=1S/C18H25N3O5S/c1-18(2,3)17-20-16(21-26-17)14-10-13(7-8-15(14)24-4)27(22,23)19-11-12-6-5-9-25-12/h7-8,10,12,19H,5-6,9,11H2,1-4H3/t12-/m1/s1
InChIKeyFEORQLFMUMORRL-GFCCVEGCSA-N
XLogP2.50
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 53044941
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 92870386) is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1noc(C(C)(C)C)n1.
What is the InChIKey of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is FEORQLFMUMORRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-18(2,3)17-20-16(21-26-17)14-10-13(7-8-15(14)24-4)27(22,23)19-11-12-6-5-9-25-12/h7-8,10,12,19H,5-6,9,11H2,1-4H3/t12-/m1/s1.
What are the key properties of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 92870386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).