N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

C20H28N4O3S — CID 5307629

IUPACN-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O3S/c1-14(17-8-6-5-7-9-17)21-20(25)18-10-12-24(13-11-18)28(26,27)19-15(2)22-23(4)16(19)3/h5-9,14,18H,10-13H2,1-4H3,(H,21,25)
InChIKeyLIUGYQKOHJGAPC-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.32
Rot. Bonds5

About N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 5307629) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID5307629
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O3S/c1-14(17-8-6-5-7-9-17)21-20(25)18-10-12-24(13-11-18)28(26,27)19-15(2)22-23(4)16(19)3/h5-9,14,18H,10-13H2,1-4H3,(H,21,25)
InChIKeyLIUGYQKOHJGAPC-UHFFFAOYSA-N
XLogP2.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-(3,5-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3240778
US9156811, Ddd99760
CID 58561256
US9156811, Ddd99758
CID 58561292
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307103
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 5307650
N-[2-(4-chlorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 5309444
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5309777
1-[(3,4-dimethylphenyl)sulfonyl]-4-[2-methyl-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]piperazine
CID 6499851
N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 6621992
N-{2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-1-phenylpentyl}-4-methylbenzenesulfonamide
CID 11842333
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-oxo-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 11842334

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 5307629) is N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LIUGYQKOHJGAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-14(17-8-6-5-7-9-17)21-20(25)18-10-12-24(13-11-18)28(26,27)19-15(2)22-23(4)16(19)3/h5-9,14,18H,10-13H2,1-4H3,(H,21,25).
What are the key properties of N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5307629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).