ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate

C20H30N2O6S — CID 8707727

IUPACethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)c(C)c1
InChIInChI=1S/C20H30N2O6S/c1-4-10-21-29(25,26)17-6-7-18(15(3)13-17)28-14-19(23)22-11-8-16(9-12-22)20(24)27-5-2/h6-7,13,16,21H,4-5,8-12,14H2,1-3H3
InChIKeyBXLUZXWCPPOVPB-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.86
Rot. Bonds9

About ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate (PubChem CID 8707727) has the molecular formula C20H30N2O6S and a molecular weight of 426.54 g/mol. Its IUPAC name is ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
PubChem CID8707727
Molecular FormulaC20H30N2O6S
Molecular Weight426.54 g/mol
Exact Mass426.18
IUPAC Nameethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)c(C)c1
InChIInChI=1S/C20H30N2O6S/c1-4-10-21-29(25,26)17-6-7-18(15(3)13-17)28-14-19(23)22-11-8-16(9-12-22)20(24)27-5-2/h6-7,13,16,21H,4-5,8-12,14H2,1-3H3
InChIKeyBXLUZXWCPPOVPB-UHFFFAOYSA-N
XLogP1.86
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
CID 3897663
4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 2221977
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-propylbenzenesulfonamide
CID 6495040
ethyl 4-[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]piperazine-1-carboxylate
CID 4315024
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
CID 108564246
ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 55347050
ethyl 1-[2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 126199408
ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30144014
ethyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]piperidine-4-carboxylate
CID 78766115
ethyl (3S)-1-[2-(2,4-dimethylphenoxy)acetyl]piperidine-3-carboxylate
CID 51969349
ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
CID 126256730
ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate
CID 16565684

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate (CID 8707727) is ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate is CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)c(C)c1.
What is the InChIKey of ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The InChIKey is BXLUZXWCPPOVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6S/c1-4-10-21-29(25,26)17-6-7-18(15(3)13-17)28-14-19(23)22-11-8-16(9-12-22)20(24)27-5-2/h6-7,13,16,21H,4-5,8-12,14H2,1-3H3.
What are the key properties of ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate has a molecular weight of 426.54 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 8707727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).