N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C24H30N4O3S2 — CID 55554934

IUPACN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C24H30N4O3S2/c1-24(2,3)20-16-21(28(26-20)17-18-8-5-4-6-9-18)25-23(29)19-11-13-27(14-12-19)33(30,31)22-10-7-15-32-22/h4-10,15-16,19H,11-14,17H2,1-3H3,(H,25,29)
InChIKeyOJVQOKVSGPJOOB-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.33
Rot. Bonds6

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55554934) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID55554934
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C24H30N4O3S2/c1-24(2,3)20-16-21(28(26-20)17-18-8-5-4-6-9-18)25-23(29)19-11-13-27(14-12-19)33(30,31)22-10-7-15-32-22/h4-10,15-16,19H,11-14,17H2,1-3H3,(H,25,29)
InChIKeyOJVQOKVSGPJOOB-UHFFFAOYSA-N
XLogP4.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55556615
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687718
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 112845124
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide
CID 119279361
N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761895
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78847394

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 55554934) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CC(C)(C)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OJVQOKVSGPJOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-24(2,3)20-16-21(28(26-20)17-18-8-5-4-6-9-18)25-23(29)19-11-13-27(14-12-19)33(30,31)22-10-7-15-32-22/h4-10,15-16,19H,11-14,17H2,1-3H3,(H,25,29).
What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 486.66 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55554934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).