N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide

C24H30N4O4S — CID 2484157

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C24H30N4O4S/c1-18-13-15-21(16-14-18)33(31,32)25-17-9-5-8-12-22(29)26-23-19(2)27(3)28(24(23)30)20-10-6-4-7-11-20/h4,6-7,10-11,13-16,25H,5,8-9,12,17H2,1-3H3,(H,26,29)
InChIKeyNKQCLEVGPCHUFT-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.27
Rot. Bonds10

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide (PubChem CID 2484157) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
PubChem CID2484157
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C24H30N4O4S/c1-18-13-15-21(16-14-18)33(31,32)25-17-9-5-8-12-22(29)26-23-19(2)27(3)28(24(23)30)20-10-6-4-7-11-20/h4,6-7,10-11,13-16,25H,5,8-9,12,17H2,1-3H3,(H,26,29)
InChIKeyNKQCLEVGPCHUFT-UHFFFAOYSA-N
XLogP3.27
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
CID 1032881
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 892408
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2474404
4-(Pyrrolidine-1-sulfonyl)-N-o-tolyl-benzamide
CID 3147990
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
4-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 1262873
N-benzyl-4-(4-isopropyl-2,3-dimethyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CID 1504737
N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide
CID 3447933
N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4968867
N-[2-(Pyrrolidine-1-carbonyl)-phenyl]-2-(toluene-4-sulfonylamino)-propionamide
CID 656014

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide (CID 2484157) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide is Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The InChIKey is NKQCLEVGPCHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-18-13-15-21(16-14-18)33(31,32)25-17-9-5-8-12-22(29)26-23-19(2)27(3)28(24(23)30)20-10-6-4-7-11-20/h4,6-7,10-11,13-16,25H,5,8-9,12,17H2,1-3H3,(H,26,29).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide has a molecular weight of 470.60 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(4-methylphenyl)sulfonylamino]hexanamide is sourced from PubChem (CID 2484157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).