N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide

C23H25N5O4S — CID 24611620

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C23H25N5O4S/c1-17(29)25-19-7-9-22(10-8-19)33(31,32)27-13-11-20(12-14-27)26-23(30)18-15-24-28(16-18)21-5-3-2-4-6-21/h2-10,15-16,20H,11-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyRGVIZTVCNLTMPW-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.41
Rot. Bonds6

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 24611620) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID24611620
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C23H25N5O4S/c1-17(29)25-19-7-9-22(10-8-19)33(31,32)27-13-11-20(12-14-27)26-23(30)18-15-24-28(16-18)21-5-3-2-4-6-21/h2-10,15-16,20H,11-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyRGVIZTVCNLTMPW-UHFFFAOYSA-N
XLogP2.41
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16606433
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
CID 24614368
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 32526900
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561718
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 24614398

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide (CID 24611620) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is RGVIZTVCNLTMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-17(29)25-19-7-9-22(10-8-19)33(31,32)27-13-11-20(12-14-27)26-23(30)18-15-24-28(16-18)21-5-3-2-4-6-21/h2-10,15-16,20H,11-14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24611620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).