N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H21F3N4O3S — CID 4883900

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N4O3S/c1-13-5-6-14(29(27,28)25-8-3-2-4-9-25)11-15(13)22-17(26)12-24-10-7-16(23-24)18(19,20)21/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,22,26)
InChIKeyLHKKJFGGCCHURO-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.02
Rot. Bonds5

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4883900) has the molecular formula C18H21F3N4O3S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4883900
Molecular FormulaC18H21F3N4O3S
Molecular Weight430.45 g/mol
Exact Mass430.13
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N4O3S/c1-13-5-6-14(29(27,28)25-8-3-2-4-9-25)11-15(13)22-17(26)12-24-10-7-16(23-24)18(19,20)21/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,22,26)
InChIKeyLHKKJFGGCCHURO-UHFFFAOYSA-N
XLogP3.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4879018
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 118725462
1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725463
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
CID 118725464
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 2558400
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4787528
2-[3,5-bis(difluoromethyl)pyrazolyl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4773049
3-[3,5-Dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-YL]-N-(4-fluoro-2-methylphenyl)propanamide
CID 16027763
US9580411, Example 82
CID 73507644
2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 8169145
N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71807876

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4883900) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is LHKKJFGGCCHURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3S/c1-13-5-6-14(29(27,28)25-8-3-2-4-9-25)11-15(13)22-17(26)12-24-10-7-16(23-24)18(19,20)21/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,22,26).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 430.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4883900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).