4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide

C26H25N5O4S — CID 6056611

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C)c3ccc(-n4ccnc4)cc3)cc2)cc1
InChIInChI=1S/C26H25N5O4S/c1-3-35-24-12-14-25(15-13-24)36(33,34)30-22-8-4-21(5-9-22)26(32)29-28-19(2)20-6-10-23(11-7-20)31-17-16-27-18-31/h4-18,30H,3H2,1-2H3,(H,29,32)/b28-19-
InChIKeyZCWQSZZHDHLACI-USHMODERSA-N
MW503.58 g/mol
LogP4.23
Rot. Bonds9

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide (PubChem CID 6056611) has the molecular formula C26H25N5O4S and a molecular weight of 503.58 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
PubChem CID6056611
Molecular FormulaC26H25N5O4S
Molecular Weight503.58 g/mol
Exact Mass503.16
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C)c3ccc(-n4ccnc4)cc3)cc2)cc1
InChIInChI=1S/C26H25N5O4S/c1-3-35-24-12-14-25(15-13-24)36(33,34)30-22-8-4-21(5-9-22)26(32)29-28-19(2)20-6-10-23(11-7-20)31-17-16-27-18-31/h4-18,30H,3H2,1-2H3,(H,29,32)/b28-19-
InChIKeyZCWQSZZHDHLACI-USHMODERSA-N
XLogP4.23
TPSA114.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide (CID 6056611) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C)c3ccc(-n4ccnc4)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide?
The InChIKey is ZCWQSZZHDHLACI-USHMODERSA-N. The full InChI is InChI=1S/C26H25N5O4S/c1-3-35-24-12-14-25(15-13-24)36(33,34)30-22-8-4-21(5-9-22)26(32)29-28-19(2)20-6-10-23(11-7-20)31-17-16-27-18-31/h4-18,30H,3H2,1-2H3,(H,29,32)/b28-19-.
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide has a molecular weight of 503.58 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6056611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).