N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

C26H38N4O3S — CID 20972197

IUPACN-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCCCCN(CC)C(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CCNCC1
InChIInChI=1S/C26H38N4O3S/c1-6-8-13-29(7-2)26(31)23-18-22(9-10-24(23)30-14-11-27-12-15-30)28-34(32,33)25-17-20(4)19(3)16-21(25)5/h9-10,16-18,27-28H,6-8,11-15H2,1-5H3
InChIKeyXUZQXKADRJLQJW-UHFFFAOYSA-N
MW486.68 g/mol
LogP4.08
Rot. Bonds9

About N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 20972197) has the molecular formula C26H38N4O3S and a molecular weight of 486.68 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
PubChem CID20972197
Molecular FormulaC26H38N4O3S
Molecular Weight486.68 g/mol
Exact Mass486.27
IUPAC NameN-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCCCCN(CC)C(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CCNCC1
InChIInChI=1S/C26H38N4O3S/c1-6-8-13-29(7-2)26(31)23-18-22(9-10-24(23)30-14-11-27-12-15-30)28-34(32,33)25-17-20(4)19(3)16-21(25)5/h9-10,16-18,27-28H,6-8,11-15H2,1-5H3
InChIKeyXUZQXKADRJLQJW-UHFFFAOYSA-N
XLogP4.08
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide 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

N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 50822497
N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide
CID 46379624
N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 92880535
N-butyl-N-ethyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146071543
N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062506
2-(4-ethylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766120
5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379578
5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379655
3-[(2-acetamido-5-methylphenyl)sulfonylamino]-N-butyl-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333477
4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333735
N-[(2R)-butan-2-yl]-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92895458
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (CID 20972197) is N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is CCCCN(CC)C(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CCNCC1.
What is the InChIKey of N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is XUZQXKADRJLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3S/c1-6-8-13-29(7-2)26(31)23-18-22(9-10-24(23)30-14-11-27-12-15-30)28-34(32,33)25-17-20(4)19(3)16-21(25)5/h9-10,16-18,27-28H,6-8,11-15H2,1-5H3.
What are the key properties of N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 486.68 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 20972197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).