ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate

C18H27N3O6S — CID 1083022

IUPACethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C18H27N3O6S/c1-4-26-18(23)21-11-9-20(10-12-21)17(22)13-27-15-5-7-16(8-6-15)28(24,25)19-14(2)3/h5-8,14,19H,4,9-13H2,1-3H3
InChIKeyQLQULGSITRPDNL-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.05
Rot. Bonds7

About ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate (PubChem CID 1083022) has the molecular formula C18H27N3O6S and a molecular weight of 413.50 g/mol. Its IUPAC name is ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate
PubChem CID1083022
Molecular FormulaC18H27N3O6S
Molecular Weight413.50 g/mol
Exact Mass413.16
IUPAC Nameethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C18H27N3O6S/c1-4-26-18(23)21-11-9-20(10-12-21)17(22)13-27-15-5-7-16(8-6-15)28(24,25)19-14(2)3/h5-8,14,19H,4,9-13H2,1-3H3
InChIKeyQLQULGSITRPDNL-UHFFFAOYSA-N
XLogP1.05
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2-[(4-methoxybenzene)[2-(morpholin-4-yl)ethyl]sulfonamido]acetamide
CID 10738103
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid 3-ethoxy-propyl ester
CID 10789493
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
4-(4-But-2-ynyloxy-benzenesulfonyl)-3-hydroxycarbamoyl-piperazine-1-carboxylic acid methyl ester
CID 9887831
2-Phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 740702
Methyl [4-(morpholin-4-ylsulfonyl)phenoxy]acetate
CID 647348

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate (CID 1083022) is ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate?
The InChIKey is QLQULGSITRPDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6S/c1-4-26-18(23)21-11-9-20(10-12-21)17(22)13-27-15-5-7-16(8-6-15)28(24,25)19-14(2)3/h5-8,14,19H,4,9-13H2,1-3H3.
What are the key properties of ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate has a molecular weight of 413.50 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 1083022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).