N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide

C23H21F2N3O5S — CID 6900782

IUPACN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC(F)F)cc3)cc2)cc1
InChIInChI=1S/C23H21F2N3O5S/c1-2-32-19-11-13-21(14-12-19)34(30,31)28-18-7-5-17(6-8-18)22(29)27-26-15-16-3-9-20(10-4-16)33-23(24)25/h3-15,23,28H,2H2,1H3,(H,27,29)/b26-15+
InChIKeyYASUHCCVDIGDBX-CVKSISIWSA-N
MW489.50 g/mol
LogP4.25
Rot. Bonds10

About N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide

N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide (PubChem CID 6900782) has the molecular formula C23H21F2N3O5S and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
PubChem CID6900782
Molecular FormulaC23H21F2N3O5S
Molecular Weight489.50 g/mol
Exact Mass489.12
IUPAC NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC(F)F)cc3)cc2)cc1
InChIInChI=1S/C23H21F2N3O5S/c1-2-32-19-11-13-21(14-12-19)34(30,31)28-18-7-5-17(6-8-18)22(29)27-26-15-16-3-9-20(10-4-16)33-23(24)25/h3-15,23,28H,2H2,1H3,(H,27,29)/b26-15+
InChIKeyYASUHCCVDIGDBX-CVKSISIWSA-N
XLogP4.25
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.25
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-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 135982579
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 6901877
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4607570
N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 6181869
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 6014232
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide (CID 6900782) is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC(F)F)cc3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is YASUHCCVDIGDBX-CVKSISIWSA-N. The full InChI is InChI=1S/C23H21F2N3O5S/c1-2-32-19-11-13-21(14-12-19)34(30,31)28-18-7-5-17(6-8-18)22(29)27-26-15-16-3-9-20(10-4-16)33-23(24)25/h3-15,23,28H,2H2,1H3,(H,27,29)/b26-15+.
What are the key properties of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 489.50 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 6900782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).