[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate

C22H23F3N2O5S — CID 3397844

IUPAC[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H23F3N2O5S/c1-15-9-10-16(33(30,31)27-11-5-2-6-12-27)13-19(15)26-20(28)14-32-21(29)17-7-3-4-8-18(17)22(23,24)25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,26,28)
InChIKeyUQVSGKHRKJGPIG-UHFFFAOYSA-N
MW484.50 g/mol
LogP3.98
Rot. Bonds6

About [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate (PubChem CID 3397844) has the molecular formula C22H23F3N2O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
PubChem CID3397844
Molecular FormulaC22H23F3N2O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H23F3N2O5S/c1-15-9-10-16(33(30,31)27-11-5-2-6-12-27)13-19(15)26-20(28)14-32-21(29)17-7-3-4-8-18(17)22(23,24)25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,26,28)
InChIKeyUQVSGKHRKJGPIG-UHFFFAOYSA-N
XLogP3.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 5218006
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7505655
[2-(2-methylanilino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2557921
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553575
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2508862
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-methylpentanoate
CID 7848057
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 4802697
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932181
2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 43005431
[2-(2-methoxyanilino)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599302

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate (CID 3397844) is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The InChIKey is UQVSGKHRKJGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O5S/c1-15-9-10-16(33(30,31)27-11-5-2-6-12-27)13-19(15)26-20(28)14-32-21(29)17-7-3-4-8-18(17)22(23,24)25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,26,28).
What are the key properties of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate has a molecular weight of 484.50 g/mol, XLogP of 3.98, 6 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-(trifluoromethyl)benzoate is sourced from PubChem (CID 3397844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).