N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide

C17H27N3O3S — CID 1202286

IUPACN-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-14-5-7-16(8-6-14)24(22,23)18-17(3,4)13-19-9-11-20(12-10-19)15(2)21/h5-8,18H,9-13H2,1-4H3
InChIKeyTUHDWLUBJJORMH-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.22
Rot. Bonds5

About N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide

N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 1202286) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID1202286
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-14-5-7-16(8-6-14)24(22,23)18-17(3,4)13-19-9-11-20(12-10-19)15(2)21/h5-8,18H,9-13H2,1-4H3
InChIKeyTUHDWLUBJJORMH-UHFFFAOYSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide 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 N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide (CID 1202286) is N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide is CC(=O)N1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is TUHDWLUBJJORMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-5-7-16(8-6-14)24(22,23)18-17(3,4)13-19-9-11-20(12-10-19)15(2)21/h5-8,18H,9-13H2,1-4H3.
What are the key properties of N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1202286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).