N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

C25H23FN4O3S — CID 60571228

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H23FN4O3S/c1-18-15-24(30(28-18)17-20-5-3-2-4-6-20)27-25(31)16-19-7-11-22(12-8-19)29-34(32,33)23-13-9-21(26)10-14-23/h2-15,29H,16-17H2,1H3,(H,27,31)
InChIKeyYIZDDLJHDKZLJZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.36
Rot. Bonds8

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 60571228) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID60571228
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H23FN4O3S/c1-18-15-24(30(28-18)17-20-5-3-2-4-6-20)27-25(31)16-19-7-11-22(12-8-19)29-34(32,33)23-13-9-21(26)10-14-23/h2-15,29H,16-17H2,1H3,(H,27,31)
InChIKeyYIZDDLJHDKZLJZ-UHFFFAOYSA-N
XLogP4.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide
CID 39854251
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55346034
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 60571257
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35537538
N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 29411176
N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 30282803
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (CID 60571228) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is Cc1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is YIZDDLJHDKZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-18-15-24(30(28-18)17-20-5-3-2-4-6-20)27-25(31)16-19-7-11-22(12-8-19)29-34(32,33)23-13-9-21(26)10-14-23/h2-15,29H,16-17H2,1H3,(H,27,31).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 60571228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).