2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C18H25FN4O3S — CID 8901153

IUPAC2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H25FN4O3S/c1-12-17(27(25,26)22-18(3,4)5)13(2)23(21-12)11-16(24)20-10-14-6-8-15(19)9-7-14/h6-9,22H,10-11H2,1-5H3,(H,20,24)
InChIKeyGYCLYOFJHUADTR-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.03
Rot. Bonds6

About 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 8901153) has the molecular formula C18H25FN4O3S and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID8901153
Molecular FormulaC18H25FN4O3S
Molecular Weight396.49 g/mol
Exact Mass396.16
IUPAC Name2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H25FN4O3S/c1-12-17(27(25,26)22-18(3,4)5)13(2)23(21-12)11-16(24)20-10-14-6-8-15(19)9-7-14/h6-9,22H,10-11H2,1-5H3,(H,20,24)
InChIKeyGYCLYOFJHUADTR-UHFFFAOYSA-N
XLogP2.03
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 8901153) is 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1nn(CC(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GYCLYOFJHUADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3S/c1-12-17(27(25,26)22-18(3,4)5)13(2)23(21-12)11-16(24)20-10-14-6-8-15(19)9-7-14/h6-9,22H,10-11H2,1-5H3,(H,20,24).
What are the key properties of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8901153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).