N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide

C24H26N2O4S — CID 110517229

IUPACN-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide
SMILESCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)c1OCc1cccc(C)c1
InChIInChI=1S/C24H26N2O4S/c1-17-7-5-8-20(13-17)16-30-24-21(9-6-10-23(24)29-4)15-25-26-31(27,28)22-12-11-18(2)19(3)14-22/h5-15,26H,16H2,1-4H3/b25-15+
InChIKeyLPBRJOASASPCGY-MFKUBSTISA-N
MW438.55 g/mol
LogP4.51
Rot. Bonds8

About N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide

N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide (PubChem CID 110517229) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide
PubChem CID110517229
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide
SMILESCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)c1OCc1cccc(C)c1
InChIInChI=1S/C24H26N2O4S/c1-17-7-5-8-20(13-17)16-30-24-21(9-6-10-23(24)29-4)15-25-26-31(27,28)22-12-11-18(2)19(3)14-22/h5-15,26H,16H2,1-4H3/b25-15+
InChIKeyLPBRJOASASPCGY-MFKUBSTISA-N
XLogP4.51
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.51
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

[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 112538716
4-ethoxy-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516667
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 27267620
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517257
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517091
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511995
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110340334
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110518068
2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 17310896
2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6907840
4-bromo-N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516039

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide (CID 110517229) is N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide is COc1cccc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)c1OCc1cccc(C)c1.
What is the InChIKey of N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide?
The InChIKey is LPBRJOASASPCGY-MFKUBSTISA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-7-5-8-20(13-17)16-30-24-21(9-6-10-23(24)29-4)15-25-26-31(27,28)22-12-11-18(2)19(3)14-22/h5-15,26H,16H2,1-4H3/b25-15+.
What are the key properties of N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide?
N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide has a molecular weight of 438.55 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110517229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).