N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide

C18H21F3N4O3S2 — CID 122430689

IUPACN-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H21F3N4O3S2/c1-17(2,30(27,28)14-5-3-13(4-6-14)18(19,20)21)12-7-9-25(10-8-12)16(26)23-15-11-22-24-29-15/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)
InChIKeyDMJWWPIECXAMQT-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.05
Rot. Bonds4

About N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide

N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide (PubChem CID 122430689) has the molecular formula C18H21F3N4O3S2 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide
PubChem CID122430689
Molecular FormulaC18H21F3N4O3S2
Molecular Weight462.52 g/mol
Exact Mass462.10
IUPAC NameN-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H21F3N4O3S2/c1-17(2,30(27,28)14-5-3-13(4-6-14)18(19,20)21)12-7-9-25(10-8-12)16(26)23-15-11-22-24-29-15/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)
InChIKeyDMJWWPIECXAMQT-UHFFFAOYSA-N
XLogP4.05
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122430681
4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122430426
4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122484410
4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127367
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
2-amino-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 68569535
[(2S,3R)-3-hydroxy-1-oxo-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]butan-2-yl]azanium;2,2,2-trifluoroacetate
CID 87469892
[2-methyl-1-oxo-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-2-yl]azanium chloride
CID 87469723
1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25256194
(3R)-3-(ethoxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99831664
[(1R)-1-cyclohexyl-2-oxo-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethyl]azanium;2,2,2-trifluoroacetate
CID 162002264
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25256403

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide (CID 122430689) is N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide?
The InChIKey is DMJWWPIECXAMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3S2/c1-17(2,30(27,28)14-5-3-13(4-6-14)18(19,20)21)12-7-9-25(10-8-12)16(26)23-15-11-22-24-29-15/h3-6,11-12H,7-10H2,1-2H3,(H,23,26).
What are the key properties of N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide?
N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 122430689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).