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

C23H35FN4O3S — CID 155429275

IUPACN-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCn1nc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)cc1C(C)N(C)C
InChIInChI=1S/C23H35FN4O3S/c1-9-28-21(16(6)27(7)8)13-23(25-28)32(30,31)26-22(29)12-20-18(14(2)3)10-17(24)11-19(20)15(4)5/h10-11,13-16H,9,12H2,1-8H3,(H,26,29)
InChIKeyQYAWSFNPERPTLF-UHFFFAOYSA-N
MW466.62 g/mol
LogP3.96
Rot. Bonds9

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

N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 155429275) has the molecular formula C23H35FN4O3S and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID155429275
Molecular FormulaC23H35FN4O3S
Molecular Weight466.62 g/mol
Exact Mass466.24
IUPAC NameN-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCn1nc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)cc1C(C)N(C)C
InChIInChI=1S/C23H35FN4O3S/c1-9-28-21(16(6)27(7)8)13-23(25-28)32(30,31)26-22(29)12-20-18(14(2)3)10-17(24)11-19(20)15(4)5/h10-11,13-16H,9,12H2,1-8H3,(H,26,29)
InChIKeyQYAWSFNPERPTLF-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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Related Compounds

N-[(3-tert-butyl-1-cyclohexylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49804501
N-[(3-tert-butyl-1-hexylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49804209
N-[(3-tert-butyl-1-pentylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 145976266
N-[[3-tert-butyl-1-[(E)-pent-1-enyl]pyrazol-5-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 145976623
(2S)-N-[(3-tert-butyl-1-hexylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 66644318
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25163266
US11530200, Example 16
CID 150256271
US11530200, Example 2
CID 155463940
US11530200, Example 15
CID 153337681
2-(4-Fluorophenyl)-1-{4-[(1,3,5-trimethyl-1H-pyrazol-4-YL)sulfonyl]piperazin-1-YL}ethan-1-one
CID 53078795
1-{4-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-YL)sulfonyl]piperazin-1-YL}-2-(4-fluorophenyl)ethan-1-one
CID 53078881
N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 24754095

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 155429275) is N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-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-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is CCn1nc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)cc1C(C)N(C)C.
What is the InChIKey of N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is QYAWSFNPERPTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN4O3S/c1-9-28-21(16(6)27(7)8)13-23(25-28)32(30,31)26-22(29)12-20-18(14(2)3)10-17(24)11-19(20)15(4)5/h10-11,13-16H,9,12H2,1-8H3,(H,26,29).
What are the key properties of N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-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-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 155429275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).