1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide

C17H20BrN3O3S2 — CID 24645564

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccn1
InChIInChI=1S/C17H20BrN3O3S2/c1-12(14-6-2-3-9-19-14)20-17(22)13-5-4-10-21(11-13)26(23,24)16-8-7-15(18)25-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyOGYOKTMMTWWPKJ-UHFFFAOYSA-N
MW458.40 g/mol
LogP3.18
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 24645564) has the molecular formula C17H20BrN3O3S2 and a molecular weight of 458.40 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID24645564
Molecular FormulaC17H20BrN3O3S2
Molecular Weight458.40 g/mol
Exact Mass457.01
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccn1
InChIInChI=1S/C17H20BrN3O3S2/c1-12(14-6-2-3-9-19-14)20-17(22)13-5-4-10-21(11-13)26(23,24)16-8-7-15(18)25-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyOGYOKTMMTWWPKJ-UHFFFAOYSA-N
XLogP3.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide 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

(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30376778
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 94091157
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 24630317
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 60519424
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide
CID 24628250
N-(1-pyridin-4-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18160601
ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 24645564) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccn1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is OGYOKTMMTWWPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3S2/c1-12(14-6-2-3-9-19-14)20-17(22)13-5-4-10-21(11-13)26(23,24)16-8-7-15(18)25-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,22).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 458.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24645564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).