N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide

C26H37N5O3S — CID 46333482

IUPACN-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(N3CCNCC3)c(NS(=O)(=O)c3cc(C)c(C)cc3C)c2)CC1
InChIInChI=1S/C26H37N5O3S/c1-5-29-12-14-31(15-13-29)26(32)22-6-7-24(30-10-8-27-9-11-30)23(18-22)28-35(33,34)25-17-20(3)19(2)16-21(25)4/h6-7,16-18,27-28H,5,8-15H2,1-4H3
InChIKeyHPXLWESUNWTDIT-UHFFFAOYSA-N
MW499.68 g/mol
LogP2.60
Rot. Bonds6

About N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide

N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide (PubChem CID 46333482) has the molecular formula C26H37N5O3S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide
PubChem CID46333482
Molecular FormulaC26H37N5O3S
Molecular Weight499.68 g/mol
Exact Mass499.26
IUPAC NameN-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(N3CCNCC3)c(NS(=O)(=O)c3cc(C)c(C)cc3C)c2)CC1
InChIInChI=1S/C26H37N5O3S/c1-5-29-12-14-31(15-13-29)26(32)22-6-7-24(30-10-8-27-9-11-30)23(18-22)28-35(33,34)25-17-20(3)19(2)16-21(25)4/h6-7,16-18,27-28H,5,8-15H2,1-4H3
InChIKeyHPXLWESUNWTDIT-UHFFFAOYSA-N
XLogP2.60
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide with MolForge

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Related Compounds

4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333735
2,4-dimethyl-N-[2-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 46333360
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333492
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
ethyl 4-[4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 46333344
N-(2-methylpropyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide;2,2,2-trifluoroacetic acid
CID 146059478
2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 50788396
N-[(2R)-butan-2-yl]-3-[(2,5-dimethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872261
2,2,2-trifluoroacetic acid;2,4,6-trimethyl-N-[5-(4-methylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 146059204
N-butan-2-yl-3-[(2-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333644
2-(4-ethylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766120

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide (CID 46333482) is N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide is CCN1CCN(C(=O)c2ccc(N3CCNCC3)c(NS(=O)(=O)c3cc(C)c(C)cc3C)c2)CC1.
What is the InChIKey of N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is HPXLWESUNWTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3S/c1-5-29-12-14-31(15-13-29)26(32)22-6-7-24(30-10-8-27-9-11-30)23(18-22)28-35(33,34)25-17-20(3)19(2)16-21(25)4/h6-7,16-18,27-28H,5,8-15H2,1-4H3.
What are the key properties of N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide?
N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 499.68 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 46333482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).