ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate

C19H29N3O5S — CID 1090480

IUPACethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O5S/c1-4-27-19(24)22-13-11-21(12-14-22)18(23)10-7-16-5-8-17(9-6-16)28(25,26)20-15(2)3/h5-6,8-9,15,20H,4,7,10-14H2,1-3H3
InChIKeyQZHYGNRNCAVCSH-UHFFFAOYSA-N
MW411.52 g/mol
LogP1.61
Rot. Bonds7

About ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate

ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate (PubChem CID 1090480) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate
PubChem CID1090480
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Nameethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O5S/c1-4-27-19(24)22-13-11-21(12-14-22)18(23)10-7-16-5-8-17(9-6-16)28(25,26)20-15(2)3/h5-6,8-9,15,20H,4,7,10-14H2,1-3H3
InChIKeyQZHYGNRNCAVCSH-UHFFFAOYSA-N
XLogP1.61
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate (CID 1090480) is ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate?
The InChIKey is QZHYGNRNCAVCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-4-27-19(24)22-13-11-21(12-14-22)18(23)10-7-16-5-8-17(9-6-16)28(25,26)20-15(2)3/h5-6,8-9,15,20H,4,7,10-14H2,1-3H3.
What are the key properties of ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate has a molecular weight of 411.52 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 1090480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).