[4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate

C22H24N4O6S — CID 4968126

IUPAC[4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)nc1
InChIInChI=1S/C22H24N4O6S/c1-4-26(5-2)33(28,29)17-9-11-21(23-15-17)25-24-14-16-8-10-18(20(13-16)30-3)32-22(27)19-7-6-12-31-19/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyLTHUOKVBGPTFJY-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.38
Rot. Bonds10

About [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate

[4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate (PubChem CID 4968126) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
PubChem CID4968126
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name[4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)nc1
InChIInChI=1S/C22H24N4O6S/c1-4-26(5-2)33(28,29)17-9-11-21(23-15-17)25-24-14-16-8-10-18(20(13-16)30-3)32-22(27)19-7-6-12-31-19/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyLTHUOKVBGPTFJY-UHFFFAOYSA-N
XLogP3.38
TPSA123.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 42996125
N,N-diethyl-6-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 6255801
N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 16556218
[4-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 6012104
4-[(2Z)-2-[[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 9013237
[4-[(Z)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 126068737
[2-methoxy-4-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6049347
[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 5458091
[4-(hydroxyiminomethyl)-2-methoxyphenyl] furan-2-carboxylate
CID 23822868
[2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 6896381
[4-[(E)-[(2,4-dimethylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 6901989
[2-methoxy-4-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6910011

Frequently Asked Questions

What is the IUPAC name of [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?
The IUPAC name of [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate (CID 4968126) is [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?
The canonical SMILES for [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate is CCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)nc1.
What is the InChIKey of [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?
The InChIKey is LTHUOKVBGPTFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-4-26(5-2)33(28,29)17-9-11-21(23-15-17)25-24-14-16-8-10-18(20(13-16)30-3)32-22(27)19-7-6-12-31-19/h6-15H,4-5H2,1-3H3,(H,23,25).
What are the key properties of [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?
[4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate has a molecular weight of 472.52 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate is sourced from PubChem (CID 4968126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).