N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide

C23H24N2O4S — CID 110517628

IUPACN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N/N=C/c2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-18(2)29-22-12-14-23(15-13-22)30(26,27)25-24-16-19-8-6-7-9-20(19)17-28-21-10-4-3-5-11-21/h3-16,18,25H,17H2,1-2H3/b24-16+
InChIKeyPUESZMLABLTPJX-LFVJCYFKSA-N
MW424.52 g/mol
LogP4.37
Rot. Bonds9

About N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide

N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110517628) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110517628
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N/N=C/c2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-18(2)29-22-12-14-23(15-13-22)30(26,27)25-24-16-19-8-6-7-9-20(19)17-28-21-10-4-3-5-11-21/h3-16,18,25H,17H2,1-2H3/b24-16+
InChIKeyPUESZMLABLTPJX-LFVJCYFKSA-N
XLogP4.37
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.37
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'}

Analyze N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 1001906
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110507196
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
4-chloro-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516223
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517739
4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110509126
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517624

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide (CID 110517628) is N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)N/N=C/c2ccccc2COc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is PUESZMLABLTPJX-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-18(2)29-22-12-14-23(15-13-22)30(26,27)25-24-16-19-8-6-7-9-20(19)17-28-21-10-4-3-5-11-21/h3-16,18,25H,17H2,1-2H3/b24-16+.
What are the key properties of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide?
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 424.52 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110517628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).