[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate

C17H24N2O5S — CID 24983071

IUPAC[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CCCC1
InChIInChI=1S/C17H24N2O5S/c1-12-8-9-14(25(22,23)19(2)3)10-15(12)18-16(20)11-24-17(21)13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyDHNJUYTUIRUXGK-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.92
Rot. Bonds6

About [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 24983071) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate
PubChem CID24983071
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CCCC1
InChIInChI=1S/C17H24N2O5S/c1-12-8-9-14(25(22,23)19(2)3)10-15(12)18-16(20)11-24-17(21)13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyDHNJUYTUIRUXGK-UHFFFAOYSA-N
XLogP1.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate 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-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3910863
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 3976510
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
CID 5183111
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840791
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7873214

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate (CID 24983071) is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CCCC1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is DHNJUYTUIRUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12-8-9-14(25(22,23)19(2)3)10-15(12)18-16(20)11-24-17(21)13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,18,20).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate?
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 368.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 24983071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).