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

C19H28N2O6S — CID 1084699

IUPACethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O6S/c1-4-26-19(23)15-9-11-21(12-10-15)18(22)13-27-16-5-7-17(8-6-16)28(24,25)20-14(2)3/h5-8,14-15,20H,4,9-13H2,1-3H3
InChIKeyPGHJUPCPUCBGBV-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.55
Rot. Bonds8

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

ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate (PubChem CID 1084699) has the molecular formula C19H28N2O6S and a molecular weight of 412.51 g/mol. Its IUPAC name is ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
PubChem CID1084699
Molecular FormulaC19H28N2O6S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC Nameethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O6S/c1-4-26-19(23)15-9-11-21(12-10-15)18(22)13-27-16-5-7-17(8-6-16)28(24,25)20-14(2)3/h5-8,14-15,20H,4,9-13H2,1-3H3
InChIKeyPGHJUPCPUCBGBV-UHFFFAOYSA-N
XLogP1.55
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-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

(2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[(2-phenoxyacetyl)amino]hexanoic acid
CID 513410
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
Ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
CID 4095236
2-[4-(Piperidine-1-sulfonyl)-phenoxy]-1-pyrrolidin-1-yl-ethanone
CID 6459962
N-cyclopropyl-2-[4-(morpholin-4-ylsulfonyl)phenoxy]acetamide
CID 6460491
1-[(4-Methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 1088331
4-[Carboxy-(4-phenoxy-benzenesulfonylamino)-methyl]-piperidine-1-carboxylic acid 2-methoxy-ethyl ester
CID 11113744
4-[(4-Butoxy-benzenesulfonylamino)-carboxy-methyl]-piperidine-1-carboxylic acid 2-methoxy-ethyl ester
CID 11733417
Ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 848330
1-{N-[(4-methoxyphenyl)sulfonyl]-N-methylglycyl}piperidine-4-carboxamide
CID 982331

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate (CID 1084699) is ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
The InChIKey is PGHJUPCPUCBGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6S/c1-4-26-19(23)15-9-11-21(12-10-15)18(22)13-27-16-5-7-17(8-6-16)28(24,25)20-14(2)3/h5-8,14-15,20H,4,9-13H2,1-3H3.
What are the key properties of ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate has a molecular weight of 412.51 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 1084699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).