N,N-diethyl-4-[5-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

Formula:C20H28N4O4S2 Mutagenic:high Tumorigenic:low Reproductive Effective:none N,N-diethyl-4-[5-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide is a drug-like molecule.

MolName	N,N-diethyl-4-[5-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
MolecularFormula	C20H28N4O4S2
Smiles	CCN(CC)S(c(cc1)ccc1-c(o1)nnc1SCC(N1C[C@H](C)CCC1)=O)(=O)=O
InChI	InChI=1S/C20H28N4O4S2/c1-4-24(5-2)30(26,27)17-10-8-16(9-11-17)19-21-22-20(28-19)29-14-18(25)23-12-6-7-15(3)13-23/h8-11,15H,4-7,12-14H2,1-3H3/t15-/m1/s1
InChIK	CEOLVFUMUABGPU-OAHLLOKOSA-N
TotalMolweight	452.598
Molweight	452.598
MonoisotopicMass	452.155196
CLogP	3.0784
CLogS	-4.154
H Acceptors	8
TotalSurfaceArea	336.75
Relative PSA	0.30367
PolarSurfaceArea	130.29
Druglikeness	5.3028
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	13
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - N,N-diethyl-4-[5-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide | 2 - N,N-diethyl-4-[5-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

Request More Details | N,N-diethyl-4-[5-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments