N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide

C23H28N6O4S — CID 43070233

IUPACN,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1
InChIInChI=1S/C23H28N6O4S/c1-5-28(6-2)34(32,33)18-11-9-10-17(14-18)22(30)26-27-23(31)19-15-25-29(21(19)16(3)4)20-12-7-8-13-24-20/h7-16H,5-6H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyJFGQRWNIKOIUNI-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.50
Rot. Bonds8

About N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide

N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 43070233) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID43070233
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC NameN,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1
InChIInChI=1S/C23H28N6O4S/c1-5-28(6-2)34(32,33)18-11-9-10-17(14-18)22(30)26-27-23(31)19-15-25-29(21(19)16(3)4)20-12-7-8-13-24-20/h7-16H,5-6H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyJFGQRWNIKOIUNI-UHFFFAOYSA-N
XLogP2.50
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070399
3-(diethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183038
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
N'-[2-(3-bromophenoxy)propanoyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 55649412
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N,N-diethyl-3-[[[(2R)-2-imidazol-1-ylpropanoyl]amino]carbamoyl]benzenesulfonamide
CID 51959113
N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38008796
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 46426954
3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
CID 40943560
N'-[3-(dimethylamino)benzoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39941438

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 43070233) is N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1.
What is the InChIKey of N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is JFGQRWNIKOIUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-5-28(6-2)34(32,33)18-11-9-10-17(14-18)22(30)26-27-23(31)19-15-25-29(21(19)16(3)4)20-12-7-8-13-24-20/h7-16H,5-6H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 484.58 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 43070233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).