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

C19H23BrN2O4S2 — CID 26777901

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C19H23BrN2O4S2/c1-26-16-5-3-2-4-14(16)8-11-21-19(23)15-9-12-22(13-10-15)28(24,25)18-7-6-17(20)27-18/h2-7,15H,8-13H2,1H3,(H,21,23)
InChIKeyQVPADQNYYDBIRY-UHFFFAOYSA-N
MW487.44 g/mol
LogP3.28
Rot. Bonds7

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

1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 26777901) has the molecular formula C19H23BrN2O4S2 and a molecular weight of 487.44 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID26777901
Molecular FormulaC19H23BrN2O4S2
Molecular Weight487.44 g/mol
Exact Mass486.03
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C19H23BrN2O4S2/c1-26-16-5-3-2-4-14(16)8-11-21-19(23)15-9-12-22(13-10-15)28(24,25)18-7-6-17(20)27-18/h2-7,15H,8-13H2,1H3,(H,21,23)
InChIKeyQVPADQNYYDBIRY-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethoxyethyl)piperidine-4-carboxamide
CID 78903052
N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 39731241
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 26777901) is 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is QVPADQNYYDBIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S2/c1-26-16-5-3-2-4-14(16)8-11-21-19(23)15-9-12-22(13-10-15)28(24,25)18-7-6-17(20)27-18/h2-7,15H,8-13H2,1H3,(H,21,23).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 487.44 g/mol, XLogP of 3.28, 7 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-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 26777901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).