4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide

C17H26N4O3S — CID 46988904

IUPAC4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide
SMILESCCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1noc(CC(C)C)n1
InChIInChI=1S/C17H26N4O3S/c1-5-21(12-16-19-17(24-20-16)10-13(2)3)11-14-6-8-15(9-7-14)25(22,23)18-4/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyUUYFMUOGPWEKKH-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.20
Rot. Bonds9

About 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide

4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide (PubChem CID 46988904) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide
PubChem CID46988904
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide
SMILESCCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1noc(CC(C)C)n1
InChIInChI=1S/C17H26N4O3S/c1-5-21(12-16-19-17(24-20-16)10-13(2)3)11-14-6-8-15(9-7-14)25(22,23)18-4/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyUUYFMUOGPWEKKH-UHFFFAOYSA-N
XLogP2.20
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide (CID 46988904) is 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide is CCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1noc(CC(C)C)n1.
What is the InChIKey of 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide?
The InChIKey is UUYFMUOGPWEKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-5-21(12-16-19-17(24-20-16)10-13(2)3)11-14-6-8-15(9-7-14)25(22,23)18-4/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide?
4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide has a molecular weight of 366.49 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 46988904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).