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

C23H35ClN4O3S — CID 155429292

IUPAC2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1
InChIInChI=1S/C23H35ClN4O3S/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)
InChIKeyDXPWEORMKOKIBF-UHFFFAOYSA-N
MW483.08 g/mol
LogP4.47
Rot. Bonds9

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

2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (PubChem CID 155429292) has the molecular formula C23H35ClN4O3S and a molecular weight of 483.08 g/mol. Its IUPAC name is 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
PubChem CID155429292
Molecular FormulaC23H35ClN4O3S
Molecular Weight483.08 g/mol
Exact Mass482.21
IUPAC Name2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1
InChIInChI=1S/C23H35ClN4O3S/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)
InChIKeyDXPWEORMKOKIBF-UHFFFAOYSA-N
XLogP4.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.08
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The IUPAC name of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (CID 155429292) is 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.
What is the SMILES notation for 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The canonical SMILES for 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is CC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.
What is the InChIKey of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The InChIKey is DXPWEORMKOKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN4O3S/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 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 483.08 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 155429292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).