1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide

C16H21BrN4O3S2 — CID 55655780

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCCCn1nccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H21BrN4O3S2/c1-2-9-21-14(5-8-18-21)19-16(22)12-6-10-20(11-7-12)26(23,24)15-4-3-13(17)25-15/h3-5,8,12H,2,6-7,9-11H2,1H3,(H,19,22)
InChIKeyVMFXJOZYLMNIPY-UHFFFAOYSA-N
MW461.41 g/mol
LogP3.16
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 55655780) has the molecular formula C16H21BrN4O3S2 and a molecular weight of 461.41 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID55655780
Molecular FormulaC16H21BrN4O3S2
Molecular Weight461.41 g/mol
Exact Mass460.02
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCCCn1nccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H21BrN4O3S2/c1-2-9-21-14(5-8-18-21)19-16(22)12-6-10-20(11-7-12)26(23,24)15-4-3-13(17)25-15/h3-5,8,12H,2,6-7,9-11H2,1H3,(H,19,22)
InChIKeyVMFXJOZYLMNIPY-UHFFFAOYSA-N
XLogP3.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethoxyethyl)piperidine-4-carboxamide
CID 78903052
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4247907
1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 112760979
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
N-(4-acetylphenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 42999460
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 15989573
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 26264234
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 43025510
(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
CID 38995892
N-(2-butylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55674493

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide (CID 55655780) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide is CCCn1nccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is VMFXJOZYLMNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O3S2/c1-2-9-21-14(5-8-18-21)19-16(22)12-6-10-20(11-7-12)26(23,24)15-4-3-13(17)25-15/h3-5,8,12H,2,6-7,9-11H2,1H3,(H,19,22).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 461.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55655780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).