3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide

C23H24N4O3S — CID 6064728

IUPAC3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C23H24N4O3S/c1-3-27(4-2)31(29,30)20-14-10-13-19(17-20)23(28)26-25-22(18-11-6-5-7-12-18)21-15-8-9-16-24-21/h5-17H,3-4H2,1-2H3,(H,26,28)/b25-22-
InChIKeyPNLBFTOGQTZHHO-LVWGJNHUSA-N
MW436.54 g/mol
LogP3.29
Rot. Bonds8

About 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide

3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide (PubChem CID 6064728) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
PubChem CID6064728
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C23H24N4O3S/c1-3-27(4-2)31(29,30)20-14-10-13-19(17-20)23(28)26-25-22(18-11-6-5-7-12-18)21-15-8-9-16-24-21/h5-17H,3-4H2,1-2H3,(H,26,28)/b25-22-
InChIKeyPNLBFTOGQTZHHO-LVWGJNHUSA-N
XLogP3.29
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide
CID 134057652
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide (CID 6064728) is 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The InChIKey is PNLBFTOGQTZHHO-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-3-27(4-2)31(29,30)20-14-10-13-19(17-20)23(28)26-25-22(18-11-6-5-7-12-18)21-15-8-9-16-24-21/h5-17H,3-4H2,1-2H3,(H,26,28)/b25-22-.
What are the key properties of 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide has a molecular weight of 436.54 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide is sourced from PubChem (CID 6064728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).