N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide

C21H25N3O4S — CID 108561834

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-4-3-5-17(14-15)21(26)23-19-10-12-24(13-11-19)29(27,28)20-8-6-18(7-9-20)22-16(2)25/h3-9,14,19H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyWCZGDXVJVAPUOY-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide (PubChem CID 108561834) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
PubChem CID108561834
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-4-3-5-17(14-15)21(26)23-19-10-12-24(13-11-19)29(27,28)20-8-6-18(7-9-20)22-16(2)25/h3-9,14,19H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyWCZGDXVJVAPUOY-UHFFFAOYSA-N
XLogP2.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide 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-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
CID 24614368
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 3218814
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 24614398
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 24611620
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24614405
(E)-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dichlorophenyl)prop-2-enamide
CID 24614351

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide (CID 108561834) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The InChIKey is WCZGDXVJVAPUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-4-3-5-17(14-15)21(26)23-19-10-12-24(13-11-19)29(27,28)20-8-6-18(7-9-20)22-16(2)25/h3-9,14,19H,10-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 108561834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).