[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C22H24ClFN2O5S — CID 5234421

IUPAC[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C22H24ClFN2O5S/c1-15-8-9-16(32(29,30)26-10-3-2-4-11-26)12-20(15)25-21(27)14-31-22(28)13-17-18(23)6-5-7-19(17)24/h5-9,12H,2-4,10-11,13-14H2,1H3,(H,25,27)
InChIKeyBZMPXKHPALIFLQ-UHFFFAOYSA-N
MW482.96 g/mol
LogP3.69
Rot. Bonds7

About [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 5234421) has the molecular formula C22H24ClFN2O5S and a molecular weight of 482.96 g/mol. Its IUPAC name is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID5234421
Molecular FormulaC22H24ClFN2O5S
Molecular Weight482.96 g/mol
Exact Mass482.11
IUPAC Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C22H24ClFN2O5S/c1-15-8-9-16(32(29,30)26-10-3-2-4-11-26)12-20(15)25-21(27)14-31-22(28)13-17-18(23)6-5-7-19(17)24/h5-9,12H,2-4,10-11,13-14H2,1H3,(H,25,27)
InChIKeyBZMPXKHPALIFLQ-UHFFFAOYSA-N
XLogP3.69
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.96
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3992685
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 3580644
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3910863
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-chlorobenzoate
CID 4097006
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4235012
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4407278
[2-[2-Chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 4414784
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-phenylacetate
CID 5024516
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840791
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate
CID 24979578

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 5234421) is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is BZMPXKHPALIFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O5S/c1-15-8-9-16(32(29,30)26-10-3-2-4-11-26)12-20(15)25-21(27)14-31-22(28)13-17-18(23)6-5-7-19(17)24/h5-9,12H,2-4,10-11,13-14H2,1H3,(H,25,27).
What are the key properties of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 482.96 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 5234421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).