[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate

C20H28N2O6S — CID 7717539

IUPAC[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)C1CCCC1
InChIInChI=1S/C20H28N2O6S/c1-27-18-10-9-16(29(25,26)22-11-5-2-6-12-22)13-17(18)21-19(23)14-28-20(24)15-7-3-4-8-15/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,23)
InChIKeyLLHRODGBXGIONE-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.54
Rot. Bonds7

About [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate

[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 7717539) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID7717539
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)C1CCCC1
InChIInChI=1S/C20H28N2O6S/c1-27-18-10-9-16(29(25,26)22-11-5-2-6-12-22)13-17(18)21-19(23)14-28-20(24)15-7-3-4-8-15/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,23)
InChIKeyLLHRODGBXGIONE-UHFFFAOYSA-N
XLogP2.54
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
trans-[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777147
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2391445
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16502994
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932181
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] oxane-4-carboxylate
CID 55374926

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate (CID 7717539) is [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)C1CCCC1.
What is the InChIKey of [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is LLHRODGBXGIONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-27-18-10-9-16(29(25,26)22-11-5-2-6-12-22)13-17(18)21-19(23)14-28-20(24)15-7-3-4-8-15/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,23).
What are the key properties of [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate?
[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 424.52 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 7717539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).