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

C20H27FN4O3S — CID 92633777

IUPACN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1c([C@@H](C)NC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cnn1C
InChIInChI=1S/C20H27FN4O3S/c1-14(19-13-22-24(3)15(19)2)23-20(26)11-16-7-9-25(10-8-16)29(27,28)18-6-4-5-17(21)12-18/h4-6,12-14,16H,7-11H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyQBCWNQBIHRIFLJ-CQSZACIVSA-N
MW422.53 g/mol
LogP2.54
Rot. Bonds6

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

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 92633777) has the molecular formula C20H27FN4O3S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID92633777
Molecular FormulaC20H27FN4O3S
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1c([C@@H](C)NC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cnn1C
InChIInChI=1S/C20H27FN4O3S/c1-14(19-13-22-24(3)15(19)2)23-20(26)11-16-7-9-25(10-8-16)29(27,28)18-6-4-5-17(21)12-18/h4-6,12-14,16H,7-11H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyQBCWNQBIHRIFLJ-CQSZACIVSA-N
XLogP2.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide (CID 92633777) is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide is Cc1c([C@@H](C)NC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cnn1C.
What is the InChIKey of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is QBCWNQBIHRIFLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27FN4O3S/c1-14(19-13-22-24(3)15(19)2)23-20(26)11-16-7-9-25(10-8-16)29(27,28)18-6-4-5-17(21)12-18/h4-6,12-14,16H,7-11H2,1-3H3,(H,23,26)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide?
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 92633777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).