N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide

C20H27FN4O3S — CID 92633858

IUPACN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1n[nH]c(C)c1[C@@H](C)NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H27FN4O3S/c1-13(20-14(2)23-24-15(20)3)22-19(26)11-16-7-9-25(10-8-16)29(27,28)18-6-4-5-17(21)12-18/h4-6,12-13,16H,7-11H2,1-3H3,(H,22,26)(H,23,24)/t13-/m1/s1
InChIKeyXOGNVNDABLYJKB-CYBMUJFWSA-N
MW422.53 g/mol
LogP2.83
Rot. Bonds6

About N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide

N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 92633858) has the molecular formula C20H27FN4O3S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID92633858
Molecular FormulaC20H27FN4O3S
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC NameN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1n[nH]c(C)c1[C@@H](C)NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H27FN4O3S/c1-13(20-14(2)23-24-15(20)3)22-19(26)11-16-7-9-25(10-8-16)29(27,28)18-6-4-5-17(21)12-18/h4-6,12-13,16H,7-11H2,1-3H3,(H,22,26)(H,23,24)/t13-/m1/s1
InChIKeyXOGNVNDABLYJKB-CYBMUJFWSA-N
XLogP2.83
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92633777
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 110246224
2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634143
2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(1-pyridin-2-ylethyl)acetamide
CID 110246280
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92634109
N-[(3-fluorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294908
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide
CID 131939244
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
CID 91903795
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
N-[(2R)-butan-2-yl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9023311
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide (CID 92633858) is N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide is Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is XOGNVNDABLYJKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27FN4O3S/c1-13(20-14(2)23-24-15(20)3)22-19(26)11-16-7-9-25(10-8-16)29(27,28)18-6-4-5-17(21)12-18/h4-6,12-13,16H,7-11H2,1-3H3,(H,22,26)(H,23,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide?
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 92633858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).