2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide

C20H32N6O4S — CID 50788396

IUPAC2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C20H32N6O4S/c1-23(2)19(27)15-24-10-12-26(13-11-24)20(28)16-4-5-18(25-8-6-21-7-9-25)17(14-16)22-31(3,29)30/h4-5,14,21-22H,6-13,15H2,1-3H3
InChIKeyNKDGMULMCKALBD-UHFFFAOYSA-N
MW452.58 g/mol
LogP-0.69
Rot. Bonds6

About 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 50788396) has the molecular formula C20H32N6O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID50788396
Molecular FormulaC20H32N6O4S
Molecular Weight452.58 g/mol
Exact Mass452.22
IUPAC Name2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C20H32N6O4S/c1-23(2)19(27)15-24-10-12-26(13-11-24)20(28)16-4-5-18(25-8-6-21-7-9-25)17(14-16)22-31(3,29)30/h4-5,14,21-22H,6-13,15H2,1-3H3
InChIKeyNKDGMULMCKALBD-UHFFFAOYSA-N
XLogP-0.69
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 46333257
N-[2-piperazin-1-yl-5-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)phenyl]methanesulfonamide
CID 46333283
N-[5-(4-ethylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]-2,4,5-trimethylbenzenesulfonamide
CID 46333482
2,4-dimethyl-N-[2-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 46333360
ethyl 4-[4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 46333344
N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 39457332
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46333840
3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333797
N,N-dimethyl-2-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 55641955
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
4-fluoro-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333186

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 50788396) is 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)CC1.
What is the InChIKey of 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is NKDGMULMCKALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O4S/c1-23(2)19(27)15-24-10-12-26(13-11-24)20(28)16-4-5-18(25-8-6-21-7-9-25)17(14-16)22-31(3,29)30/h4-5,14,21-22H,6-13,15H2,1-3H3.
What are the key properties of 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 452.58 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 50788396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).