N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide

C22H19N5O3S2 — CID 164626378

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C22H19N5O3S2/c1-15-4-6-16(7-5-15)14-24-25-22(28)19-13-20(21-3-2-12-31-21)27(26-19)17-8-10-18(11-9-17)32(23,29)30/h2-14H,1H3,(H,25,28)(H2,23,29,30)/b24-14-
InChIKeyGUFULIKRPKOEFW-OYKKKHCWSA-N
MW465.56 g/mol
LogP3.32
Rot. Bonds6

About N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide

N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 164626378) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID164626378
Molecular FormulaC22H19N5O3S2
Molecular Weight465.56 g/mol
Exact Mass465.09
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C22H19N5O3S2/c1-15-4-6-16(7-5-15)14-24-25-22(28)19-13-20(21-3-2-12-31-21)27(26-19)17-8-10-18(11-9-17)32(23,29)30/h2-14H,1H3,(H,25,28)(H2,23,29,30)/b24-14-
InChIKeyGUFULIKRPKOEFW-OYKKKHCWSA-N
XLogP3.32
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-Methylphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155539820
4-[5-Phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155557877
N-[(4-methylbenzoyl)amino]-N'-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpyrrolidine-1-carboximidamide
CID 131801155
N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3892594
N-[3-(diethylsulfamoyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4281981
N'-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide
CID 6862122
N'-[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene]-3-(5-methyl-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 6869533
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6903023
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 16275207
1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-3-carboxamide
CID 164610255
5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)-N-[(E)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]triazole-4-carboxamide
CID 164612535
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 164614150

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide (CID 164626378) is N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide is Cc1ccc(/C=N\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is GUFULIKRPKOEFW-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c1-15-4-6-16(7-5-15)14-24-25-22(28)19-13-20(21-3-2-12-31-21)27(26-19)17-8-10-18(11-9-17)32(23,29)30/h2-14H,1H3,(H,25,28)(H2,23,29,30)/b24-14-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 164626378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).