N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C23H20N4O4S — CID 4230474

IUPACN-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C(C)c3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C23H20N4O4S/c1-16(18-8-6-17(15-24)7-9-18)25-26-23(28)19-4-3-5-22(14-19)32(29,30)27-20-10-12-21(31-2)13-11-20/h3-14,27H,1-2H3,(H,26,28)
InChIKeyMJIGOUSFUKMWFN-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.52
Rot. Bonds7

About N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 4230474) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID4230474
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC NameN-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C(C)c3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C23H20N4O4S/c1-16(18-8-6-17(15-24)7-9-18)25-26-23(28)19-4-3-5-22(14-19)32(29,30)27-20-10-12-21(31-2)13-11-20/h3-14,27H,1-2H3,(H,26,28)
InChIKeyMJIGOUSFUKMWFN-UHFFFAOYSA-N
XLogP3.52
TPSA120.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6161520
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 42991101
3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 29144925
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 30828589
N-[(4-hydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2361346
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 4230474) is N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C(C)c3ccc(C#N)cc3)c2)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is MJIGOUSFUKMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-16(18-8-6-17(15-24)7-9-18)25-26-23(28)19-4-3-5-22(14-19)32(29,30)27-20-10-12-21(31-2)13-11-20/h3-14,27H,1-2H3,(H,26,28).
What are the key properties of N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 448.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4230474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).