4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

C23H32N4O3S — CID 46333735

IUPAC4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C23H32N4O3S/c1-5-8-25-23(28)19-6-7-21(27-11-9-24-10-12-27)20(15-19)26-31(29,30)22-14-17(3)16(2)13-18(22)4/h6-7,13-15,24,26H,5,8-12H2,1-4H3,(H,25,28)
InChIKeyIKORXZKBJIFLAN-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.96
Rot. Bonds7

About 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 46333735) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
PubChem CID46333735
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C23H32N4O3S/c1-5-8-25-23(28)19-6-7-21(27-11-9-24-10-12-27)20(15-19)26-31(29,30)22-14-17(3)16(2)13-18(22)4/h6-7,13-15,24,26H,5,8-12H2,1-4H3,(H,25,28)
InChIKeyIKORXZKBJIFLAN-UHFFFAOYSA-N
XLogP2.96
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide;2,2,2-trifluoroacetic acid
CID 146059430
N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333531
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
N-(2-methylpropyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide;2,2,2-trifluoroacetic acid
CID 146059478
N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide
CID 46333482
3-methyl-4-piperazin-1-yl-N-propylbenzamide
CID 28749402
3-[(3-chloro-4-methylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059433
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333492
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333723
N-[(2R)-butan-2-yl]-3-[(2,5-dimethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872261
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333799

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (CID 46333735) is 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is CCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cc(C)c(C)cc2C)c1.
What is the InChIKey of 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is IKORXZKBJIFLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-5-8-25-23(28)19-6-7-21(27-11-9-24-10-12-27)20(15-19)26-31(29,30)22-14-17(3)16(2)13-18(22)4/h6-7,13-15,24,26H,5,8-12H2,1-4H3,(H,25,28).
What are the key properties of 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 444.60 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46333735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).