ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate

C20H28N2O6S — CID 43002481

IUPACethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C20H28N2O6S/c1-2-27-20(24)15-8-10-22(11-9-15)19(23)16-5-3-7-18(13-16)29(25,26)21-14-17-6-4-12-28-17/h3,5,7,13,15,17,21H,2,4,6,8-12,14H2,1H3
InChIKeyUCOJZXIJBADYSY-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.56
Rot. Bonds7

About ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate

ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate (PubChem CID 43002481) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate
PubChem CID43002481
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Nameethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C20H28N2O6S/c1-2-27-20(24)15-8-10-22(11-9-15)19(23)16-5-3-7-18(13-16)29(25,26)21-14-17-6-4-12-28-17/h3,5,7,13,15,17,21H,2,4,6,8-12,14H2,1H3
InChIKeyUCOJZXIJBADYSY-UHFFFAOYSA-N
XLogP1.56
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55822182
ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 42910636
3-(4-formylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 109063902
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55851242
3-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 136519074
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98381430
3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55586374
N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 72896002
1-[4-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341313
ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 26591578
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate (CID 43002481) is ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1.
What is the InChIKey of ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is UCOJZXIJBADYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-2-27-20(24)15-8-10-22(11-9-15)19(23)16-5-3-7-18(13-16)29(25,26)21-14-17-6-4-12-28-17/h3,5,7,13,15,17,21H,2,4,6,8-12,14H2,1H3.
What are the key properties of ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 424.52 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43002481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).