[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

C26H28N2O5S — CID 4265158

IUPAC[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C26H28N2O5S/c1-19-12-13-22(34(31,32)28-14-5-2-6-15-28)17-24(19)27-25(29)18-33-26(30)16-21-10-7-9-20-8-3-4-11-23(20)21/h3-4,7-13,17H,2,5-6,14-16,18H2,1H3,(H,27,29)
InChIKeyDJDBDUVAKNQMSH-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.05
Rot. Bonds7

About [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 4265158) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID4265158
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C26H28N2O5S/c1-19-12-13-22(34(31,32)28-14-5-2-6-15-28)17-24(19)27-25(29)18-33-26(30)16-21-10-7-9-20-8-3-4-11-23(20)21/h3-4,7-13,17H,2,5-6,14-16,18H2,1H3,(H,27,29)
InChIKeyDJDBDUVAKNQMSH-UHFFFAOYSA-N
XLogP4.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.05
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-(2,6-diethylanilino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 2332636
[2-(2,6-diethylanilino)-2-oxoethyl] 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 3418260
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 3580644
(2-anilino-2-oxoethyl) 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 3655300
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3910863
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840791
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate
CID 24979578
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 3624923
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
CID 3903788
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
CID 4042472

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 4265158) is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1cccc2ccccc12.
What is the InChIKey of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is DJDBDUVAKNQMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-19-12-13-22(34(31,32)28-14-5-2-6-15-28)17-24(19)27-25(29)18-33-26(30)16-21-10-7-9-20-8-3-4-11-23(20)21/h3-4,7-13,17H,2,5-6,14-16,18H2,1H3,(H,27,29).
What are the key properties of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 480.59 g/mol, XLogP of 4.05, 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-naphthalen-1-ylacetate is sourced from PubChem (CID 4265158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).