N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide

C20H30N4O5S — CID 55441976

IUPACN-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N4O5S/c1-21(29-2)30(27,28)18-8-6-17(7-9-18)20(26)24-14-12-22(13-15-24)16-19(25)23-10-4-3-5-11-23/h6-9H,3-5,10-16H2,1-2H3
InChIKeyXOGCLMNITACVGJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP0.64
Rot. Bonds6

About N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide

N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55441976) has the molecular formula C20H30N4O5S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55441976
Molecular FormulaC20H30N4O5S
Molecular Weight438.55 g/mol
Exact Mass438.19
IUPAC NameN-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N4O5S/c1-21(29-2)30(27,28)18-8-6-17(7-9-18)20(26)24-14-12-22(13-15-24)16-19(25)23-10-4-3-5-11-23/h6-9H,3-5,10-16H2,1-2H3
InChIKeyXOGCLMNITACVGJ-UHFFFAOYSA-N
XLogP0.64
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide 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

1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 26999273
N-benzyl-N-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 67130558
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
CID 39969807
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899
2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 8893050
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
N,N-dimethyl-2-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 55641955
N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 24525790

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 55441976) is N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide is CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is XOGCLMNITACVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5S/c1-21(29-2)30(27,28)18-8-6-17(7-9-18)20(26)24-14-12-22(13-15-24)16-19(25)23-10-4-3-5-11-23/h6-9H,3-5,10-16H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 438.55 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55441976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).