N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C23H21FN4O3S2 — CID 24504139

IUPACN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H21FN4O3S2/c1-27(33(30,31)22-8-5-13-32-22)16-21(29)25-14-18-15-28(20-6-3-2-4-7-20)26-23(18)17-9-11-19(24)12-10-17/h2-13,15H,14,16H2,1H3,(H,25,29)
InChIKeyJZEOGPGEKXVGAQ-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.68
Rot. Bonds8

About N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 24504139) has the molecular formula C23H21FN4O3S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID24504139
Molecular FormulaC23H21FN4O3S2
Molecular Weight484.58 g/mol
Exact Mass484.10
IUPAC NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H21FN4O3S2/c1-27(33(30,31)22-8-5-13-32-22)16-21(29)25-14-18-15-28(20-6-3-2-4-7-20)26-23(18)17-9-11-19(24)12-10-17/h2-13,15H,14,16H2,1H3,(H,25,29)
InChIKeyJZEOGPGEKXVGAQ-UHFFFAOYSA-N
XLogP3.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 24504139) is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is JZEOGPGEKXVGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S2/c1-27(33(30,31)22-8-5-13-32-22)16-21(29)25-14-18-15-28(20-6-3-2-4-7-20)26-23(18)17-9-11-19(24)12-10-17/h2-13,15H,14,16H2,1H3,(H,25,29).
What are the key properties of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 484.58 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 24504139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).