ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate

C20H30N2O6S — CID 2950439

IUPACethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O6S/c1-5-27-19(24)15-10-12-22(13-11-15)18(23)14-28-16-6-8-17(9-7-16)29(25,26)21-20(2,3)4/h6-9,15,21H,5,10-14H2,1-4H3
InChIKeyMVINFUBYYASVOP-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.94
Rot. Bonds7

About ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate (PubChem CID 2950439) has the molecular formula C20H30N2O6S and a molecular weight of 426.54 g/mol. Its IUPAC name is ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
PubChem CID2950439
Molecular FormulaC20H30N2O6S
Molecular Weight426.54 g/mol
Exact Mass426.18
IUPAC Nameethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O6S/c1-5-27-19(24)15-10-12-22(13-11-15)18(23)14-28-16-6-8-17(9-7-16)29(25,26)21-20(2,3)4/h6-9,15,21H,5,10-14H2,1-4H3
InChIKeyMVINFUBYYASVOP-UHFFFAOYSA-N
XLogP1.94
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
Ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
CID 4095236
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
Ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 848330
1-{N-[(4-methoxyphenyl)sulfonyl]-N-methylglycyl}piperidine-4-carboxamide
CID 982331
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556
N-cycloheptyl-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1075447
Ethyl 1-{[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonyl}-4-piperidinecarboxylate
CID 1082976
Ethyl 4-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-1-piperazinecarboxylate
CID 1083022
Ethyl 1-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-4-piperidinecarboxylate
CID 1084699

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate (CID 2950439) is ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The InChIKey is MVINFUBYYASVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6S/c1-5-27-19(24)15-10-12-22(13-11-15)18(23)14-28-16-6-8-17(9-7-16)29(25,26)21-20(2,3)4/h6-9,15,21H,5,10-14H2,1-4H3.
What are the key properties of ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate has a molecular weight of 426.54 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(tert-butylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 2950439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).