ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate

C18H27N3O5S — CID 109061890

IUPACethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C18H27N3O5S/c1-3-10-19-27(24,25)16-7-5-6-14(13-16)17(22)20-15-8-11-21(12-9-15)18(23)26-4-2/h5-7,13,15,19H,3-4,8-12H2,1-2H3,(H,20,22)
InChIKeyJROUABBGKYNNKT-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.73
Rot. Bonds7

About ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 109061890) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID109061890
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Nameethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C18H27N3O5S/c1-3-10-19-27(24,25)16-7-5-6-14(13-16)17(22)20-15-8-11-21(12-9-15)18(23)26-4-2/h5-7,13,15,19H,3-4,8-12H2,1-2H3,(H,20,22)
InChIKeyJROUABBGKYNNKT-UHFFFAOYSA-N
XLogP1.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-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

ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 42910636
ethyl 4-[3-(cyclopropylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 109062305
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[3-[(4-methylsulfonylphenyl)methylcarbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 59406387
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
3-(propylsulfamoyl)benzoic acid
CID 2442822
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
ethyl 4-[[N-ethyl-N'-[[3-(propylcarbamoyl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329996
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate (CID 109061890) is ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate is CCCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OCC)CC2)c1.
What is the InChIKey of ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is JROUABBGKYNNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-3-10-19-27(24,25)16-7-5-6-14(13-16)17(22)20-15-8-11-21(12-9-15)18(23)26-4-2/h5-7,13,15,19H,3-4,8-12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109061890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).