N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

C25H23FN4O4S — CID 55346034

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCc1c(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23FN4O4S/c1-17-24(25(32)30(29(17)2)21-6-4-3-5-7-21)27-23(31)16-18-8-12-20(13-9-18)28-35(33,34)22-14-10-19(26)11-15-22/h3-15,28H,16H2,1-2H3,(H,27,31)
InChIKeySKIBGAWXCDNXDO-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.61
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55346034) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID55346034
Molecular FormulaC25H23FN4O4S
Molecular Weight494.55 g/mol
Exact Mass494.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCc1c(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23FN4O4S/c1-17-24(25(32)30(29(17)2)21-6-4-3-5-7-21)27-23(31)16-18-8-12-20(13-9-18)28-35(33,34)22-14-10-19(26)11-15-22/h3-15,28H,16H2,1-2H3,(H,27,31)
InChIKeySKIBGAWXCDNXDO-UHFFFAOYSA-N
XLogP3.61
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (CID 55346034) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is Cc1c(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is SKIBGAWXCDNXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-17-24(25(32)30(29(17)2)21-6-4-3-5-7-21)27-23(31)16-18-8-12-20(13-9-18)28-35(33,34)22-14-10-19(26)11-15-22/h3-15,28H,16H2,1-2H3,(H,27,31).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 494.55 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55346034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).