(E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide

C18H18N2O3S — CID 25052640

IUPAC(E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccccc1/C=C(\C#N)S(=O)(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C18H18N2O3S/c1-13-8-9-17(14(2)10-13)20-24(21,22)16(12-19)11-15-6-4-5-7-18(15)23-3/h4-11,20H,1-3H3/b16-11+
InChIKeyBQZYGYSIOCJWKY-LFIBNONCSA-N
MW342.42 g/mol
LogP3.62
Rot. Bonds5

About (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide

(E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide (PubChem CID 25052640) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide
PubChem CID25052640
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccccc1/C=C(\C#N)S(=O)(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C18H18N2O3S/c1-13-8-9-17(14(2)10-13)20-24(21,22)16(12-19)11-15-6-4-5-7-18(15)23-3/h4-11,20H,1-3H3/b16-11+
InChIKeyBQZYGYSIOCJWKY-LFIBNONCSA-N
XLogP3.62
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-cyano-N-(2,4-dimethylphenyl)-2-(2,3,5-trichlorophenyl)ethenesulfonamide
CID 68946526
3-(2-methoxyphenyl)-2-methylsulfonylprop-2-enenitrile
CID 54000449
1-cyano-2-[4-(dimethylamino)phenyl]-N-(2,4-dimethylphenyl)ethenesulfonamide
CID 68941596
(E)-1-cyano-2-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)ethenesulfonamide
CID 25052658
(Z)-1-cyano-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68941943
1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68946474
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821009
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374748
(E)-2-cyano-3-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 6254904
(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
CID 101032566
(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19212533
methyl 4-[[2-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 2436617

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide?
The IUPAC name of (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide (CID 25052640) is (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide?
The canonical SMILES for (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide is COc1ccccc1/C=C(\C#N)S(=O)(=O)Nc1ccc(C)cc1C.
What is the InChIKey of (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide?
The InChIKey is BQZYGYSIOCJWKY-LFIBNONCSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-8-9-17(14(2)10-13)20-24(21,22)16(12-19)11-15-6-4-5-7-18(15)23-3/h4-11,20H,1-3H3/b16-11+.
What are the key properties of (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide?
(E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 25052640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).