N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide

C24H30N4O4S — CID 43020036

IUPACN,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1
InChIInChI=1S/C24H30N4O4S/c1-4-13-28(21-10-6-5-7-11-21)33(31,32)22-12-8-9-20(18-22)24(30)27-16-14-26(15-17-27)19-23(29)25(2)3/h4-12,18H,1,13-17,19H2,2-3H3
InChIKeyWZRGXFMYVAOORM-UHFFFAOYSA-N
MW470.60 g/mol
LogP1.91
Rot. Bonds8

About N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide (PubChem CID 43020036) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide
PubChem CID43020036
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1
InChIInChI=1S/C24H30N4O4S/c1-4-13-28(21-10-6-5-7-11-21)33(31,32)22-12-8-9-20(18-22)24(30)27-16-14-26(15-17-27)19-23(29)25(2)3/h4-12,18H,1,13-17,19H2,2-3H3
InChIKeyWZRGXFMYVAOORM-UHFFFAOYSA-N
XLogP1.91
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide 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-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4636977
N,N-diethyl-2-[4-[3-[methyl(phenyl)sulfamoyl]benzoyl]-1,4-diazepan-1-yl]acetamide
CID 55631894
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2336771
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 24818212
N-(2-chlorophenyl)-3-(3-methylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 86878865
3-(2,6-dimethylmorpholine-4-carbonyl)-N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 43002675
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
N-ethyl-3-(3-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 119577414
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2595869
N-ethyl-3-(3-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide;hydrochloride
CID 119577413
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide (CID 43020036) is N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1.
What is the InChIKey of N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide?
The InChIKey is WZRGXFMYVAOORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-4-13-28(21-10-6-5-7-11-21)33(31,32)22-12-8-9-20(18-22)24(30)27-16-14-26(15-17-27)19-23(29)25(2)3/h4-12,18H,1,13-17,19H2,2-3H3.
What are the key properties of N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide has a molecular weight of 470.60 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43020036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).