2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C25H24FN5O3S — CID 42585346

IUPAC2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2nc(Nc3cccc(F)c3)c(S(=O)(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C25H24FN5O3S/c1-17-10-12-18(13-11-17)15-28-22(32)16-31-24(27)23(35(33,34)21-8-3-2-4-9-21)25(30-31)29-20-7-5-6-19(26)14-20/h2-14H,15-16,27H2,1H3,(H,28,32)(H,29,30)
InChIKeyKKVPTYYPXMXHGT-UHFFFAOYSA-N
MW493.56 g/mol
LogP3.81
Rot. Bonds8

About 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 42585346) has the molecular formula C25H24FN5O3S and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID42585346
Molecular FormulaC25H24FN5O3S
Molecular Weight493.56 g/mol
Exact Mass493.16
IUPAC Name2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2nc(Nc3cccc(F)c3)c(S(=O)(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C25H24FN5O3S/c1-17-10-12-18(13-11-17)15-28-22(32)16-31-24(27)23(35(33,34)21-8-3-2-4-9-21)25(30-31)29-20-7-5-6-19(26)14-20/h2-14H,15-16,27H2,1H3,(H,28,32)(H,29,30)
InChIKeyKKVPTYYPXMXHGT-UHFFFAOYSA-N
XLogP3.81
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 91623445
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 30263816
2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922735
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 18591622
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28635589
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 53054653
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
N-(3-fluorophenyl)-2-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111245387

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 42585346) is 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2nc(Nc3cccc(F)c3)c(S(=O)(=O)c3ccccc3)c2N)cc1.
What is the InChIKey of 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KKVPTYYPXMXHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3S/c1-17-10-12-18(13-11-17)15-28-22(32)16-31-24(27)23(35(33,34)21-8-3-2-4-9-21)25(30-31)29-20-7-5-6-19(26)14-20/h2-14H,15-16,27H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 493.56 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 42585346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).