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

C22H19N5O5S2 — CID 164628544

IUPACN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1O
InChIInChI=1S/C22H19N5O5S2/c1-32-20-9-4-14(11-19(20)28)13-24-25-22(29)17-12-18(21-3-2-10-33-21)27(26-17)15-5-7-16(8-6-15)34(23,30)31/h2-13,28H,1H3,(H,25,29)(H2,23,30,31)/b24-13-
InChIKeyTWSVOQDMZLWAFP-CFRMEGHHSA-N
MW497.56 g/mol
LogP2.73
Rot. Bonds7

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

N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 164628544) has the molecular formula C22H19N5O5S2 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID164628544
Molecular FormulaC22H19N5O5S2
Molecular Weight497.56 g/mol
Exact Mass497.08
IUPAC NameN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1O
InChIInChI=1S/C22H19N5O5S2/c1-32-20-9-4-14(11-19(20)28)13-24-25-22(29)17-12-18(21-3-2-10-33-21)27(26-17)15-5-7-16(8-6-15)34(23,30)31/h2-13,28H,1H3,(H,25,29)(H2,23,30,31)/b24-13-
InChIKeyTWSVOQDMZLWAFP-CFRMEGHHSA-N
XLogP2.73
TPSA148.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide
CID 164618454
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
CID 6891854
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 171983195
N-[(E)-(4-chloro-2-oxochromen-3-yl)methylideneamino]-5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 127051924
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 141236547
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2047569
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
N-(2-methoxy-5-sulfamoylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52565008
5-(4-methylthiophen-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315657
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide (CID 164628544) is N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide is COc1ccc(/C=N\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1O.
What is the InChIKey of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is TWSVOQDMZLWAFP-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H19N5O5S2/c1-32-20-9-4-14(11-19(20)28)13-24-25-22(29)17-12-18(21-3-2-10-33-21)27(26-17)15-5-7-16(8-6-15)34(23,30)31/h2-13,28H,1H3,(H,25,29)(H2,23,30,31)/b24-13-.
What are the key properties of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 164628544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).