N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide

C17H24N4O3S — CID 70675704

IUPACN-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H24N4O3S/c1-2-25(22,23)18-12-13-8-10-15(11-9-13)19-17-20-16(21-24-17)14-6-4-3-5-7-14/h3-7,13,15,18H,2,8-12H2,1H3,(H,19,20,21)
InChIKeySWNDMOZYPNNKSE-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.65
Rot. Bonds7

About N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide

N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide (PubChem CID 70675704) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide
PubChem CID70675704
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H24N4O3S/c1-2-25(22,23)18-12-13-8-10-15(11-9-13)19-17-20-16(21-24-17)14-6-4-3-5-7-14/h3-7,13,15,18H,2,8-12H2,1H3,(H,19,20,21)
InChIKeySWNDMOZYPNNKSE-UHFFFAOYSA-N
XLogP2.65
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide (CID 70675704) is N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is SWNDMOZYPNNKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-2-25(22,23)18-12-13-8-10-15(11-9-13)19-17-20-16(21-24-17)14-6-4-3-5-7-14/h3-7,13,15,18H,2,8-12H2,1H3,(H,19,20,21).
What are the key properties of N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide?
N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 70675704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).