3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

C20H27N3O5S — CID 53044941

IUPAC3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1-c1noc(C2CCCCC2)n1
InChIInChI=1S/C20H27N3O5S/c1-26-18-10-9-16(29(24,25)21-13-15-8-5-11-27-15)12-17(18)19-22-20(28-23-19)14-6-3-2-4-7-14/h9-10,12,14-15,21H,2-8,11,13H2,1H3
InChIKeyNJYQLOUWTPMVDD-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.25
Rot. Bonds7

About 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 53044941) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID53044941
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1-c1noc(C2CCCCC2)n1
InChIInChI=1S/C20H27N3O5S/c1-26-18-10-9-16(29(24,25)21-13-15-8-5-11-27-15)12-17(18)19-22-20(28-23-19)14-6-3-2-4-7-14/h9-10,12,14-15,21H,2-8,11,13H2,1H3
InChIKeyNJYQLOUWTPMVDD-UHFFFAOYSA-N
XLogP3.25
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 92870386
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46267411
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide
CID 50747537
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
3-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-methoxyphenyl]-5-cyclohexyl-1,2,4-oxadiazole;hydrochloride
CID 146052232
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 53044941) is 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCCO2)cc1-c1noc(C2CCCCC2)n1.
What is the InChIKey of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is NJYQLOUWTPMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-26-18-10-9-16(29(24,25)21-13-15-8-5-11-27-15)12-17(18)19-22-20(28-23-19)14-6-3-2-4-7-14/h9-10,12,14-15,21H,2-8,11,13H2,1H3.
What are the key properties of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 53044941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).