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

C16H19BrN2O3S3 — CID 24654701

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C16H19BrN2O3S3/c17-14-5-6-15(24-14)25(21,22)19-9-1-3-12(11-19)16(20)18-8-7-13-4-2-10-23-13/h2,4-6,10,12H,1,3,7-9,11H2,(H,18,20)
InChIKeyNEYRCYQYAINUGR-UHFFFAOYSA-N
MW463.44 g/mol
LogP3.33
Rot. Bonds6

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

1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide (PubChem CID 24654701) has the molecular formula C16H19BrN2O3S3 and a molecular weight of 463.44 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
PubChem CID24654701
Molecular FormulaC16H19BrN2O3S3
Molecular Weight463.44 g/mol
Exact Mass461.97
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C16H19BrN2O3S3/c17-14-5-6-15(24-14)25(21,22)19-9-1-3-12(11-19)16(20)18-8-7-13-4-2-10-23-13/h2,4-6,10,12H,1,3,7-9,11H2,(H,18,20)
InChIKeyNEYRCYQYAINUGR-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
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(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
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1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
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(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
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(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
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CID 55548927
N-(2-naphthalen-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46442413
1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
CID 24629779
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide (CID 24654701) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide is O=C(NCCc1cccs1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is NEYRCYQYAINUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3S3/c17-14-5-6-15(24-14)25(21,22)19-9-1-3-12(11-19)16(20)18-8-7-13-4-2-10-23-13/h2,4-6,10,12H,1,3,7-9,11H2,(H,18,20).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 3.33, 6 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-(2-thiophen-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24654701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).