4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

C28H25N3O4S — CID 6024079

IUPAC4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)cc2)cc1
InChIInChI=1S/C28H25N3O4S/c1-21-10-16-27(17-11-21)36(33,34)31-25-14-12-24(13-15-25)28(32)30-29-19-23-8-5-9-26(18-23)35-20-22-6-3-2-4-7-22/h2-19,31H,20H2,1H3,(H,30,32)/b29-19-
InChIKeySQOZPMFQSDGNIY-CEUNXORHSA-N
MW499.59 g/mol
LogP5.14
Rot. Bonds9

About 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6024079) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6024079
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC Name4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)cc2)cc1
InChIInChI=1S/C28H25N3O4S/c1-21-10-16-27(17-11-21)36(33,34)31-25-14-12-24(13-15-25)28(32)30-29-19-23-8-5-9-26(18-23)35-20-22-6-3-2-4-7-22/h2-19,31H,20H2,1H3,(H,30,32)/b29-19-
InChIKeySQOZPMFQSDGNIY-CEUNXORHSA-N
XLogP5.14
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.14
H-Bond Donors ≤ 52
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

4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
N-[(3-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4141300
4-(benzenesulfonamido)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6040213
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6021387
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
[3-[(E)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061566
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6024079) is 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is SQOZPMFQSDGNIY-CEUNXORHSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-21-10-16-27(17-11-21)36(33,34)31-25-14-12-24(13-15-25)28(32)30-29-19-23-8-5-9-26(18-23)35-20-22-6-3-2-4-7-22/h2-19,31H,20H2,1H3,(H,30,32)/b29-19-.
What are the key properties of 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 499.59 g/mol, XLogP of 5.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6024079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).