1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide

C18H20BrClN2O3S2 — CID 39731241

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C18H20BrClN2O3S2/c19-16-4-5-17(26-16)27(24,25)22-10-7-14(8-11-22)18(23)21-9-6-13-2-1-3-15(20)12-13/h1-5,12,14H,6-11H2,(H,21,23)
InChIKeyADGUNVGGPXASHG-UHFFFAOYSA-N
MW491.86 g/mol
LogP3.92
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 39731241) has the molecular formula C18H20BrClN2O3S2 and a molecular weight of 491.86 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID39731241
Molecular FormulaC18H20BrClN2O3S2
Molecular Weight491.86 g/mol
Exact Mass489.98
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C18H20BrClN2O3S2/c19-16-4-5-17(26-16)27(24,25)22-10-7-14(8-11-22)18(23)21-9-6-13-2-1-3-15(20)12-13/h1-5,12,14H,6-11H2,(H,21,23)
InChIKeyADGUNVGGPXASHG-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.86
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852
1-(3-acetylphenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 39730733
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 26777901
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethoxyethyl)piperidine-4-carboxamide
CID 78903052
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 24654701
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 26264234
(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30376778
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide (CID 39731241) is 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide is O=C(NCCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is ADGUNVGGPXASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3S2/c19-16-4-5-17(26-16)27(24,25)22-10-7-14(8-11-22)18(23)21-9-6-13-2-1-3-15(20)12-13/h1-5,12,14H,6-11H2,(H,21,23).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 491.86 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 39731241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).