ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate

C17H25N3O5S — CID 113008687

IUPACethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C17H25N3O5S/c1-4-25-17(22)14-7-5-6-8-15(14)18-16(21)13-9-11-20(12-10-13)26(23,24)19(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyUPAFJKXSLNDCDA-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.32
Rot. Bonds6

About ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate

ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 113008687) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID113008687
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Nameethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C17H25N3O5S/c1-4-25-17(22)14-7-5-6-8-15(14)18-16(21)13-9-11-20(12-10-13)26(23,24)19(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyUPAFJKXSLNDCDA-UHFFFAOYSA-N
XLogP1.32
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546
1-(dimethylsulfamoyl)-N-(2-phenylphenyl)piperidine-4-carboxamide
CID 41455218
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45011956
ethyl 2-[[4-[butyl(methyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109149984
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669
ethyl 2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 38074512
ethyl 2-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 38074517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate (CID 113008687) is ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is UPAFJKXSLNDCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-4-25-17(22)14-7-5-6-8-15(14)18-16(21)13-9-11-20(12-10-13)26(23,24)19(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21).
What are the key properties of ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate?
ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 383.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 113008687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).