N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide

C20H26N2O5S — CID 110517629

IUPACN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
SMILESCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-5-12-26-19-11-6-16(13-20(19)25-4)14-21-22-28(23,24)18-9-7-17(8-10-18)27-15(2)3/h6-11,13-15,22H,5,12H2,1-4H3/b21-14+
InChIKeyFHEPIXLMTIVILG-KGENOOAVSA-N
MW406.50 g/mol
LogP3.58
Rot. Bonds10

About N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide

N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110517629) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110517629
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
SMILESCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-5-12-26-19-11-6-16(13-20(19)25-4)14-21-22-28(23,24)18-9-7-17(8-10-18)27-15(2)3/h6-11,13-15,22H,5,12H2,1-4H3/b21-14+
InChIKeyFHEPIXLMTIVILG-KGENOOAVSA-N
XLogP3.58
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.58
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-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517624
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517739
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517640
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
4-ethoxy-N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516670
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517653
4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516295
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3457911
3,4-dimethoxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517554
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517643
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517208

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide (CID 110517629) is N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide is CCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1OC.
What is the InChIKey of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is FHEPIXLMTIVILG-KGENOOAVSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-12-26-19-11-6-16(13-20(19)25-4)14-21-22-28(23,24)18-9-7-17(8-10-18)27-15(2)3/h6-11,13-15,22H,5,12H2,1-4H3/b21-14+.
What are the key properties of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide?
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110517629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).