N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide

C24H27N5O5S — CID 16606433

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C24H27N5O5S/c1-17(30)25-18-8-10-21(11-9-18)35(32,33)28-14-12-19(13-15-28)26-24(31)23-22(34-2)16-29(27-23)20-6-4-3-5-7-20/h3-11,16,19H,12-15H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyMURQJODXBJUPAO-UHFFFAOYSA-N
MW497.58 g/mol
LogP2.42
Rot. Bonds7

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 16606433) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID16606433
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C24H27N5O5S/c1-17(30)25-18-8-10-21(11-9-18)35(32,33)28-14-12-19(13-15-28)26-24(31)23-22(34-2)16-29(27-23)20-6-4-3-5-7-20/h3-11,16,19H,12-15H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyMURQJODXBJUPAO-UHFFFAOYSA-N
XLogP2.42
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 24611620
N-[4-[4-[(2-methoxyphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612547
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 134050806
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55381026
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
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
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 93473313

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 16606433) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is MURQJODXBJUPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-17(30)25-18-8-10-21(11-9-18)35(32,33)28-14-12-19(13-15-28)26-24(31)23-22(34-2)16-29(27-23)20-6-4-3-5-7-20/h3-11,16,19H,12-15H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 16606433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).