2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide

C19H24N2O4S — CID 110518057

IUPAC2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N/N=C/c1cccc(OCC(C)C)c1
InChIInChI=1S/C19H24N2O4S/c1-14(2)13-25-17-7-5-6-16(11-17)12-20-21-26(22,23)19-10-15(3)8-9-18(19)24-4/h5-12,14,21H,13H2,1-4H3/b20-12+
InChIKeyKADLAPWDFFWXBX-UDWIEESQSA-N
MW376.48 g/mol
LogP3.35
Rot. Bonds8

About 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide

2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 110518057) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
PubChem CID110518057
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N/N=C/c1cccc(OCC(C)C)c1
InChIInChI=1S/C19H24N2O4S/c1-14(2)13-25-17-7-5-6-16(11-17)12-20-21-26(22,23)19-10-15(3)8-9-18(19)24-4/h5-12,14,21H,13H2,1-4H3/b20-12+
InChIKeyKADLAPWDFFWXBX-UDWIEESQSA-N
XLogP3.35
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.35
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

N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
5-chloro-2-methoxy-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110517026
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517954
2-methoxy-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-5-methylbenzenesulfonamide
CID 110518061
4-bromo-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516030
N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517904
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110518068
[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
CID 110518046

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide (CID 110518057) is 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N/N=C/c1cccc(OCC(C)C)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is KADLAPWDFFWXBX-UDWIEESQSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14(2)13-25-17-7-5-6-16(11-17)12-20-21-26(22,23)19-10-15(3)8-9-18(19)24-4/h5-12,14,21H,13H2,1-4H3/b20-12+.
What are the key properties of 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110518057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).