4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide

C17H27N3O4S — CID 1090425

IUPAC4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-4-19-9-11-20(12-10-19)17(21)13-24-15-5-7-16(8-6-15)25(22,23)18-14(2)3/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyIEJSBSKITKFHGS-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.92
Rot. Bonds7

About 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide

4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide (PubChem CID 1090425) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
PubChem CID1090425
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-4-19-9-11-20(12-10-19)17(21)13-24-15-5-7-16(8-6-15)25(22,23)18-14(2)3/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyIEJSBSKITKFHGS-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide 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 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide (CID 1090425) is 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide is CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is IEJSBSKITKFHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-19-9-11-20(12-10-19)17(21)13-24-15-5-7-16(8-6-15)25(22,23)18-14(2)3/h5-8,14,18H,4,9-13H2,1-3H3.
What are the key properties of 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1090425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).