4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide

C23H28N4O4S — CID 30839191

IUPAC4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1
InChIInChI=1S/C23H28N4O4S/c1-17(2)26-32(30,31)20-10-6-7-18(15-20)16-24-22(28)11-12-23(29)27-14-13-21(25-27)19-8-4-3-5-9-19/h3-10,15,17,26H,11-14,16H2,1-2H3,(H,24,28)
InChIKeyNJBAXDLYQYLFPY-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.41
Rot. Bonds9

About 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide

4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide (PubChem CID 30839191) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide
PubChem CID30839191
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1
InChIInChI=1S/C23H28N4O4S/c1-17(2)26-32(30,31)20-10-6-7-18(15-20)16-24-22(28)11-12-23(29)27-14-13-21(25-27)19-8-4-3-5-9-19/h3-10,15,17,26H,11-14,16H2,1-2H3,(H,24,28)
InChIKeyNJBAXDLYQYLFPY-UHFFFAOYSA-N
XLogP2.41
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 17445323
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55635136
N-butyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51161883
N-(5-methylhexan-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 134035790
N-[2-(diethylamino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55346332
N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 24640207
(3-morpholin-4-ylsulfonylphenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 42982189
N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25481606
3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
CID 91202186
(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide
CID 155953207

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide?
The IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide (CID 30839191) is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide is CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1.
What is the InChIKey of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide?
The InChIKey is NJBAXDLYQYLFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-17(2)26-32(30,31)20-10-6-7-18(15-20)16-24-22(28)11-12-23(29)27-14-13-21(25-27)19-8-4-3-5-9-19/h3-10,15,17,26H,11-14,16H2,1-2H3,(H,24,28).
What are the key properties of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide?
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide has a molecular weight of 456.57 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide is sourced from PubChem (CID 30839191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).