[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C22H25ClN2O5S — CID 5211551

IUPAC[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O5S/c1-16-5-10-19(31(28,29)25-11-3-2-4-12-25)14-20(16)24-21(26)15-30-22(27)13-17-6-8-18(23)9-7-17/h5-10,14H,2-4,11-13,15H2,1H3,(H,24,26)
InChIKeyDANRJBSLQZLNRY-UHFFFAOYSA-N
MW464.97 g/mol
LogP3.55
Rot. Bonds7

About [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 5211551) has the molecular formula C22H25ClN2O5S and a molecular weight of 464.97 g/mol. Its IUPAC name is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID5211551
Molecular FormulaC22H25ClN2O5S
Molecular Weight464.97 g/mol
Exact Mass464.12
IUPAC Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O5S/c1-16-5-10-19(31(28,29)25-11-3-2-4-12-25)14-20(16)24-21(26)15-30-22(27)13-17-6-8-18(23)9-7-17/h5-10,14H,2-4,11-13,15H2,1H3,(H,24,26)
InChIKeyDANRJBSLQZLNRY-UHFFFAOYSA-N
XLogP3.55
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.97
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 5211551) is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is DANRJBSLQZLNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5S/c1-16-5-10-19(31(28,29)25-11-3-2-4-12-25)14-20(16)24-21(26)15-30-22(27)13-17-6-8-18(23)9-7-17/h5-10,14H,2-4,11-13,15H2,1H3,(H,24,26).
What are the key properties of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 464.97 g/mol, XLogP of 3.55, 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-(4-chlorophenyl)acetate is sourced from PubChem (CID 5211551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).