N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide

C12H17BrN2O4S2 — CID 61074103

IUPACN-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2O4S2/c1-19-8-11(16)14-9-4-6-15(7-5-9)21(17,18)12-3-2-10(13)20-12/h2-3,9H,4-8H2,1H3,(H,14,16)
InChIKeyRIOVRPHSDHBDER-UHFFFAOYSA-N
MW397.32 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide

N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide (PubChem CID 61074103) has the molecular formula C12H17BrN2O4S2 and a molecular weight of 397.32 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
PubChem CID61074103
Molecular FormulaC12H17BrN2O4S2
Molecular Weight397.32 g/mol
Exact Mass395.98
IUPAC NameN-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2O4S2/c1-19-8-11(16)14-9-4-6-15(7-5-9)21(17,18)12-3-2-10(13)20-12/h2-3,9H,4-8H2,1H3,(H,14,16)
InChIKeyRIOVRPHSDHBDER-UHFFFAOYSA-N
XLogP1.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide
CID 61045778
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
CID 167889276
1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethoxyethyl)piperidine-4-carboxamide
CID 78903052
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95088956
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide (CID 61074103) is N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide?
The InChIKey is RIOVRPHSDHBDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S2/c1-19-8-11(16)14-9-4-6-15(7-5-9)21(17,18)12-3-2-10(13)20-12/h2-3,9H,4-8H2,1H3,(H,14,16).
What are the key properties of N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide?
N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide has a molecular weight of 397.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 61074103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).