ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate

C17H24N2O5S — CID 1293458

IUPACethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-3-24-17(21)14-5-7-15(8-6-14)18-16(20)13-9-11-19(12-10-13)25(22,23)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyUJUQMLJQHINMBF-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.86
Rot. Bonds6

About ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate

ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate (PubChem CID 1293458) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate
PubChem CID1293458
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Nameethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-3-24-17(21)14-5-7-15(8-6-14)18-16(20)13-9-11-19(12-10-13)25(22,23)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyUJUQMLJQHINMBF-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 3300
Ethyl 4-(benzoylamino)benzoate
CID 12914
Ethyl 4-(3-oxoisothiazol-2(3H)-yl)benzoate
CID 4381769
Ethyl 4-(4-(dimethylamino)benzylamino)benzoate
CID 3243284
Ethyl 4-(butylamino)benzoate
CID 66746
Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate
CID 534992
N-Acetylprocaine
CID 151400
4-(Propylsulfonyl)benzyl 4-(acetylamino)benzoate
CID 1300264
Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate
CID 1915327
2-Phenylethyl 4-acetamidobenzoate
CID 2449194
1-Ethyl 4-[[2-[(2-carboxyethyl)thio]acetyl]amino]benzoate
CID 2492710
Methyl 4-({[1-(methylsulfonyl)piperidin-3-yl]carbonyl}amino)benzoate
CID 4234809

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate (CID 1293458) is ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1.
What is the InChIKey of ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate?
The InChIKey is UJUQMLJQHINMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-3-24-17(21)14-5-7-15(8-6-14)18-16(20)13-9-11-19(12-10-13)25(22,23)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate?
ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate has a molecular weight of 368.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 1293458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).