N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

C22H33FN4O3S — CID 155429283

IUPACN-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1
InChIInChI=1S/C22H33FN4O3S/c1-13(2)17-9-16(23)10-18(14(3)4)19(17)11-21(28)25-31(29,30)22-12-20(27(8)24-22)15(5)26(6)7/h9-10,12-15H,11H2,1-8H3,(H,25,28)
InChIKeyHXYUGYWZCRNEHB-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.48
Rot. Bonds8

About N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 155429283) has the molecular formula C22H33FN4O3S and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID155429283
Molecular FormulaC22H33FN4O3S
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC NameN-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1
InChIInChI=1S/C22H33FN4O3S/c1-13(2)17-9-16(23)10-18(14(3)4)19(17)11-21(28)25-31(29,30)22-12-20(27(8)24-22)15(5)26(6)7/h9-10,12-15H,11H2,1-8H3,(H,25,28)
InChIKeyHXYUGYWZCRNEHB-UHFFFAOYSA-N
XLogP3.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 155429283) is N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.
What is the InChIKey of N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is HXYUGYWZCRNEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O3S/c1-13(2)17-9-16(23)10-18(14(3)4)19(17)11-21(28)25-31(29,30)22-12-20(27(8)24-22)15(5)26(6)7/h9-10,12-15H,11H2,1-8H3,(H,25,28).
What are the key properties of N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 452.60 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 155429283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).