N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide

C16H17F3N4O4S — CID 71793689

IUPACN-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cc1
InChIInChI=1S/C16H17F3N4O4S/c1-10(24)20-12-4-6-13(7-5-12)28(25,26)23-8-2-3-11(9-23)14-21-22-15(27-14)16(17,18)19/h4-7,11H,2-3,8-9H2,1H3,(H,20,24)
InChIKeyLDRWGQJWFLNPTG-UHFFFAOYSA-N
MW418.40 g/mol
LogP2.62
Rot. Bonds4

About N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 71793689) has the molecular formula C16H17F3N4O4S and a molecular weight of 418.40 g/mol. Its IUPAC name is N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID71793689
Molecular FormulaC16H17F3N4O4S
Molecular Weight418.40 g/mol
Exact Mass418.09
IUPAC NameN-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cc1
InChIInChI=1S/C16H17F3N4O4S/c1-10(24)20-12-4-6-13(7-5-12)28(25,26)23-8-2-3-11(9-23)14-21-22-15(27-14)16(17,18)19/h4-7,11H,2-3,8-9H2,1H3,(H,20,24)
InChIKeyLDRWGQJWFLNPTG-UHFFFAOYSA-N
XLogP2.62
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542573
N-[4-[(3R)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 99963727
N-[4-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 132675528
N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540275
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
(4-piperidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539917
N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42581450
(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540208
N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122267799
1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 71793689) is N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cc1.
What is the InChIKey of N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is LDRWGQJWFLNPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O4S/c1-10(24)20-12-4-6-13(7-5-12)28(25,26)23-8-2-3-11(9-23)14-21-22-15(27-14)16(17,18)19/h4-7,11H,2-3,8-9H2,1H3,(H,20,24).
What are the key properties of N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 418.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 71793689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).