N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide

C23H24F2N4O2S — CID 55954871

IUPACN-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H24F2N4O2S/c1-29(23(31)15-32-14-22(30)26-19-9-7-17(24)8-10-19)11-3-6-20-13-21(28-27-20)16-4-2-5-18(25)12-16/h2,4-5,7-10,12-13H,3,6,11,14-15H2,1H3,(H,26,30)(H,27,28)
InChIKeyHDIRKJQSHJUPGM-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.12
Rot. Bonds10

About N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 55954871) has the molecular formula C23H24F2N4O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID55954871
Molecular FormulaC23H24F2N4O2S
Molecular Weight458.53 g/mol
Exact Mass458.16
IUPAC NameN-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H24F2N4O2S/c1-29(23(31)15-32-14-22(30)26-19-9-7-17(24)8-10-19)11-3-6-20-13-21(28-27-20)16-4-2-5-18(25)12-16/h2,4-5,7-10,12-13H,3,6,11,14-15H2,1H3,(H,26,30)(H,27,28)
InChIKeyHDIRKJQSHJUPGM-UHFFFAOYSA-N
XLogP4.12
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(propanoylamino)benzamide
CID 55976193
3-bromo-N-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
CID 55953212
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
2-[2-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55976953
4-[[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]amino]butanoic acid
CID 122021510
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119744612
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 55977873
(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
CID 119744618
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 56570962
3-[(4-bromothiophen-2-yl)methyl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
CID 47066918

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide (CID 55954871) is N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CSCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is HDIRKJQSHJUPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S/c1-29(23(31)15-32-14-22(30)26-19-9-7-17(24)8-10-19)11-3-6-20-13-21(28-27-20)16-4-2-5-18(25)12-16/h2,4-5,7-10,12-13H,3,6,11,14-15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 458.53 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 55954871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).