3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide

C23H27N3O4S — CID 46267411

IUPAC3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1-c1noc(C2CCCCC2)n1
InChIInChI=1S/C23H27N3O4S/c1-16-8-10-17(11-9-16)15-24-31(27,28)19-12-13-21(29-2)20(14-19)22-25-23(30-26-22)18-6-4-3-5-7-18/h8-14,18,24H,3-7,15H2,1-2H3
InChIKeyOFUFJUXMVNTHEQ-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.58
Rot. Bonds7

About 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide

3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 46267411) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID46267411
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1-c1noc(C2CCCCC2)n1
InChIInChI=1S/C23H27N3O4S/c1-16-8-10-17(11-9-16)15-24-31(27,28)19-12-13-21(29-2)20(14-19)22-25-23(30-26-22)18-6-4-3-5-7-18/h8-14,18,24H,3-7,15H2,1-2H3
InChIKeyOFUFJUXMVNTHEQ-UHFFFAOYSA-N
XLogP4.58
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 46267411) is 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1-c1noc(C2CCCCC2)n1.
What is the InChIKey of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is OFUFJUXMVNTHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-16-8-10-17(11-9-16)15-24-31(27,28)19-12-13-21(29-2)20(14-19)22-25-23(30-26-22)18-6-4-3-5-7-18/h8-14,18,24H,3-7,15H2,1-2H3.
What are the key properties of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46267411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).