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

C24H37ClN4O3S — CID 155429299

IUPAC2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1
InChIInChI=1S/C24H37ClN4O3S/c1-14(2)19-10-18(25)11-20(15(3)4)21(19)12-23(30)27-33(31,32)24-13-22(17(7)28(8)9)29(26-24)16(5)6/h10-11,13-17H,12H2,1-9H3,(H,27,30)
InChIKeyFTZSRULRBDXOLQ-UHFFFAOYSA-N
MW497.11 g/mol
LogP5.03
Rot. Bonds9

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

2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (PubChem CID 155429299) has the molecular formula C24H37ClN4O3S and a molecular weight of 497.11 g/mol. Its IUPAC name is 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
PubChem CID155429299
Molecular FormulaC24H37ClN4O3S
Molecular Weight497.11 g/mol
Exact Mass496.23
IUPAC Name2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1
InChIInChI=1S/C24H37ClN4O3S/c1-14(2)19-10-18(25)11-20(15(3)4)21(19)12-23(30)27-33(31,32)24-13-22(17(7)28(8)9)29(26-24)16(5)6/h10-11,13-17H,12H2,1-9H3,(H,27,30)
InChIKeyFTZSRULRBDXOLQ-UHFFFAOYSA-N
XLogP5.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.11
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US11530200, Example 16
CID 150256271
US11530200, Example 15
CID 153337681
3-[1-[[5-chloro-2-(2-cyclopentylethyl)phenyl]methyl]-5-methylpyrazol-3-yl]-N-(trifluoromethylsulfonyl)propanamide
CID 89578359
N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 155429275
N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 155429283
N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 155429290
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(methylaminomethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
CID 155429351
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 155429414
N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 155429470
2-[4-[1-(3-chloro-2,4-difluorophenyl)ethyl]-2-cyclopropyl-6-propan-2-ylphenyl]-N-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]sulfonyl]acetamide
CID 166008257
2-[4-[1-(3-chloro-2,4-difluorophenyl)ethyl]-2-cyclopropyl-6-methylphenyl]-N-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]sulfonyl]acetamide
CID 170143951
2-(4-Chlorophenyl)-1-{4-[(1,3,5-trimethyl-1H-pyrazol-4-YL)sulfonyl]piperazin-1-YL}ethan-1-one
CID 53078816

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The IUPAC name of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (CID 155429299) is 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-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-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The canonical SMILES for 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is CC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1.
What is the InChIKey of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The InChIKey is FTZSRULRBDXOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37ClN4O3S/c1-14(2)19-10-18(25)11-20(15(3)4)21(19)12-23(30)27-33(31,32)24-13-22(17(7)28(8)9)29(26-24)16(5)6/h10-11,13-17H,12H2,1-9H3,(H,27,30).
What are the key properties of 2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 497.11 g/mol, XLogP of 5.03, 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-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 155429299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).