4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide

C24H26N2O5S — CID 110516660

IUPAC4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-30-21-10-12-22(13-11-21)32(27,28)26-25-16-20-9-14-23(29-3)24(15-20)31-17-19-7-5-18(2)6-8-19/h5-16,26H,4,17H2,1-3H3/b25-16+
InChIKeyKGPNOVWGCKAXJP-PCLIKHOPSA-N
MW454.55 g/mol
LogP4.29
Rot. Bonds10

About 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide

4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (PubChem CID 110516660) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
PubChem CID110516660
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-30-21-10-12-22(13-11-21)32(27,28)26-25-16-20-9-14-23(29-3)24(15-20)31-17-19-7-5-18(2)6-8-19/h5-16,26H,4,17H2,1-3H3/b25-16+
InChIKeyKGPNOVWGCKAXJP-PCLIKHOPSA-N
XLogP4.29
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
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-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6248419
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 5430799
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
CID 3813802
4-ethoxy-N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516670
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517954
[2-ethoxy-4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 4089635
3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 9073657
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 6872611
2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide
CID 28702064
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (CID 110516660) is 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OCc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is KGPNOVWGCKAXJP-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-30-21-10-12-22(13-11-21)32(27,28)26-25-16-20-9-14-23(29-3)24(15-20)31-17-19-7-5-18(2)6-8-19/h5-16,26H,4,17H2,1-3H3/b25-16+.
What are the key properties of 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 454.55 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110516660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).