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

C18H21N5O3S2 — CID 122430681

IUPAC4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H21N5O3S2/c1-18(2,28(25,26)15-5-3-13(11-19)4-6-15)14-7-9-23(10-8-14)17(24)21-16-12-20-22-27-16/h3-6,12,14H,7-10H2,1-2H3,(H,21,24)
InChIKeyCLTKTXLUIANRPV-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.91
Rot. Bonds4

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

4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 122430681) has the molecular formula C18H21N5O3S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID122430681
Molecular FormulaC18H21N5O3S2
Molecular Weight419.53 g/mol
Exact Mass419.11
IUPAC Name4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H21N5O3S2/c1-18(2,28(25,26)15-5-3-13(11-19)4-6-15)14-7-9-23(10-8-14)17(24)21-16-12-20-22-27-16/h3-6,12,14H,7-10H2,1-2H3,(H,21,24)
InChIKeyCLTKTXLUIANRPV-UHFFFAOYSA-N
XLogP2.91
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(thiadiazol-5-yl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxamide
CID 122430689
4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122430426
N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
CID 47092621
4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122484410
(3R)-3-(ethoxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99831664
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 134368515
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
CID 122430747
4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
CID 75251376
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 122430388

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (CID 122430681) is 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is CLTKTXLUIANRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S2/c1-18(2,28(25,26)15-5-3-13(11-19)4-6-15)14-7-9-23(10-8-14)17(24)21-16-12-20-22-27-16/h3-6,12,14H,7-10H2,1-2H3,(H,21,24).
What are the key properties of 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122430681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).