[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate

C26H26N2O6S — CID 2346206

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H26N2O6S/c29-25(27-20-13-15-22(16-14-20)35(31,32)28-17-7-2-8-18-28)19-33-26(30)23-11-5-6-12-24(23)34-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-19H2,(H,27,29)
InChIKeyWVQGWNDWLOLWEH-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.45
Rot. Bonds8

About [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate

[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate (PubChem CID 2346206) has the molecular formula C26H26N2O6S and a molecular weight of 494.57 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate
PubChem CID2346206
Molecular FormulaC26H26N2O6S
Molecular Weight494.57 g/mol
Exact Mass494.15
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H26N2O6S/c29-25(27-20-13-15-22(16-14-20)35(31,32)28-17-7-2-8-18-28)19-33-26(30)23-11-5-6-12-24(23)34-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-19H2,(H,27,29)
InChIKeyWVQGWNDWLOLWEH-UHFFFAOYSA-N
XLogP4.45
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-bromobenzoate
CID 2416258
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540356
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,3-dimethoxybenzoate
CID 42962825
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2,3-dimethylbenzoate
CID 2572351
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-aminonaphthalene-2-carboxylate
CID 23828494
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 5216601
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2,6-dichlorobenzoate
CID 2489065
2-(2-phenylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 26252662
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 16528404
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3-methoxybenzoate
CID 18776815
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
CID 7760857
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] furan-2-carboxylate
CID 2715180

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate (CID 2346206) is [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate is O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate?
The InChIKey is WVQGWNDWLOLWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6S/c29-25(27-20-13-15-22(16-14-20)35(31,32)28-17-7-2-8-18-28)19-33-26(30)23-11-5-6-12-24(23)34-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-19H2,(H,27,29).
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate?
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate has a molecular weight of 494.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2346206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).