N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide

C17H22N4O3S — CID 71781188

IUPACN-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1
InChIInChI=1S/C17H22N4O3S/c1-14(22)19-16-3-5-17(6-4-16)25(23,24)21-11-7-15(8-12-21)13-20-10-2-9-18-20/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,19,22)
InChIKeyRZUNWBGQIKAQPK-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.94
Rot. Bonds5

About N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 71781188) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID71781188
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1
InChIInChI=1S/C17H22N4O3S/c1-14(22)19-16-3-5-17(6-4-16)25(23,24)21-11-7-15(8-12-21)13-20-10-2-9-18-20/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,19,22)
InChIKeyRZUNWBGQIKAQPK-UHFFFAOYSA-N
XLogP1.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]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

4-{[3-(3,5-Dimethyl-1h-Pyrazol-1-Yl)-3-Oxopropyl]amino}benzenesulfonamide
CID 86278564
1-ethyl-5-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1013698
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4879018
2,2,2-trifluoro-N-(4-{[(1-methyl-1H-pyrazol-5-yl)amino]sulfonyl}phenyl)acetamide
CID 2808730
N-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfamoyl]phenyl}acetamide
CID 7762538
N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 11567764
(E)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70979873
(E)-N-[4-(1-methylpyrazol-4-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407734
N-(3-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20855619
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2123428
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4883900

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 71781188) is N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1.
What is the InChIKey of N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RZUNWBGQIKAQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-14(22)19-16-3-5-17(6-4-16)25(23,24)21-11-7-15(8-12-21)13-20-10-2-9-18-20/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,19,22).
What are the key properties of N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 362.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 71781188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).