[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C18H26N2O5S — CID 4117638

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C18H26N2O5S/c1-13-7-9-16(10-8-13)26(23,24)19-11-18(22)25-12-17(21)20-14(2)5-4-6-15(20)3/h7-10,14-15,19H,4-6,11-12H2,1-3H3
InChIKeyFBRMSNLOSQOQPK-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.61
Rot. Bonds6

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 4117638) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID4117638
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C18H26N2O5S/c1-13-7-9-16(10-8-13)26(23,24)19-11-18(22)25-12-17(21)20-14(2)5-4-6-15(20)3/h7-10,14-15,19H,4-6,11-12H2,1-3H3
InChIKeyFBRMSNLOSQOQPK-UHFFFAOYSA-N
XLogP1.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Ethoxy-propylamino)-1-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-ethanone
CID 644864
N-tert-Butyl-4-(3-morpholin-4-yl-3-oxo-propyl)-benzenesulfonamide
CID 651639
16-(Toluene-4-sulfonyl)-1,7,13-trioxa-4,10,16-triaza-cyclooctadecane-3,11-dione
CID 654766
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 798105
Methyl 4-(4-morpholinylsulfonyl)benzylcarbamate
CID 847855
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N-isobutyl-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 1287984
[2-(Benzhydrylamino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2419462
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2497263
ethyl 4-{N-cyclohexyl-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
CID 2925960
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3353616
[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 5852048

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 4117638) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is FBRMSNLOSQOQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13-7-9-16(10-8-13)26(23,24)19-11-18(22)25-12-17(21)20-14(2)5-4-6-15(20)3/h7-10,14-15,19H,4-6,11-12H2,1-3H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 382.48 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 4117638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).