(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate

C22H26N2O5S — CID 2588211

IUPAC(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H26N2O5S/c1-2-24(19-9-5-3-6-10-19)30(27,28)20-13-11-18(12-14-20)22(26)29-17-21(25)23-15-7-4-8-16-23/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3
InChIKeySKEBLDXKANNWJZ-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.07
Rot. Bonds7

About (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate

(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate (PubChem CID 2588211) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
PubChem CID2588211
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H26N2O5S/c1-2-24(19-9-5-3-6-10-19)30(27,28)20-13-11-18(12-14-20)22(26)29-17-21(25)23-15-7-4-8-16-23/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3
InChIKeySKEBLDXKANNWJZ-UHFFFAOYSA-N
XLogP3.07
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 18073914
[2-oxo-2-(propan-2-ylamino)ethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587769
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530659
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 23962200
[2-(benzylamino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588136
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
CID 2372648
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 6600800
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577860
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(azepan-1-ylsulfonyl)benzoate
CID 2557964
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587682

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate (CID 2588211) is (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate?
The InChIKey is SKEBLDXKANNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-2-24(19-9-5-3-6-10-19)30(27,28)20-13-11-18(12-14-20)22(26)29-17-21(25)23-15-7-4-8-16-23/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate?
(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate has a molecular weight of 430.53 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2588211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).