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

C23H35FN4O3S — CID 155429290

IUPACN-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-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(CN(C)C)n(C(C)C)n1
InChIInChI=1S/C23H35FN4O3S/c1-14(2)19-9-17(24)10-20(15(3)4)21(19)12-22(29)26-32(30,31)23-11-18(13-27(7)8)28(25-23)16(5)6/h9-11,14-16H,12-13H2,1-8H3,(H,26,29)
InChIKeyMOQCUVCNYJBDSC-UHFFFAOYSA-N
MW466.62 g/mol
LogP3.96
Rot. Bonds9

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

N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 155429290) has the molecular formula C23H35FN4O3S and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID155429290
Molecular FormulaC23H35FN4O3S
Molecular Weight466.62 g/mol
Exact Mass466.24
IUPAC NameN-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-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(CN(C)C)n(C(C)C)n1
InChIInChI=1S/C23H35FN4O3S/c1-14(2)19-9-17(24)10-20(15(3)4)21(19)12-22(29)26-32(30,31)23-11-18(13-27(7)8)28(25-23)16(5)6/h9-11,14-16H,12-13H2,1-8H3,(H,26,29)
InChIKeyMOQCUVCNYJBDSC-UHFFFAOYSA-N
XLogP3.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 155429290) is N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-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(CN(C)C)n(C(C)C)n1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is MOQCUVCNYJBDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN4O3S/c1-14(2)19-9-17(24)10-20(15(3)4)21(19)12-22(29)26-32(30,31)23-11-18(13-27(7)8)28(25-23)16(5)6/h9-11,14-16H,12-13H2,1-8H3,(H,26,29).
What are the key properties of N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 466.62 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 155429290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).