1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide

C18H18N2O5S — CID 68946474

IUPAC1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C#N)=Cc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H18N2O5S/c1-23-15-6-4-14(5-7-15)20-26(21,22)17(12-19)11-13-10-16(24-2)8-9-18(13)25-3/h4-11,20H,1-3H3
InChIKeyIZYYZXDQGQQHNR-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.02
Rot. Bonds7

About 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide

1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide (PubChem CID 68946474) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
PubChem CID68946474
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C#N)=Cc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H18N2O5S/c1-23-15-6-4-14(5-7-15)20-26(21,22)17(12-19)11-13-10-16(24-2)8-9-18(13)25-3/h4-11,20H,1-3H3
InChIKeyIZYYZXDQGQQHNR-UHFFFAOYSA-N
XLogP3.02
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-cyano-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68941943
(Z)-1-cyano-2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68942999
2-(4-bromophenyl)-1-cyano-N-(4-methoxyphenyl)ethenesulfonamide
CID 68944818
(E)-2-(4-bromophenyl)-1-cyano-N-(4-methoxyphenyl)ethenesulfonamide
CID 25052714
1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68940089
1-cyano-N-(4-methoxyphenyl)-2-methylsulfanylethenesulfonamide
CID 68947212
(Z)-N-(4-bromophenyl)-1-cyano-2-(2,3,4-trimethoxyphenyl)ethenesulfonamide
CID 68942768
2-[(4-methoxyphenyl)methylsulfonyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enenitrile
CID 68943321
2-cyano-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 3677507
(E)-1-cyano-N-(2,4-dimethylphenyl)-2-(2-methoxyphenyl)ethenesulfonamide
CID 25052640
(Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide
CID 19183544
3-(2-methoxyphenyl)-2-methylsulfonylprop-2-enenitrile
CID 54000449

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The IUPAC name of 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide (CID 68946474) is 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide.
What is the SMILES notation for 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The canonical SMILES for 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide is COc1ccc(NS(=O)(=O)C(C#N)=Cc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide?
The InChIKey is IZYYZXDQGQQHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-23-15-6-4-14(5-7-15)20-26(21,22)17(12-19)11-13-10-16(24-2)8-9-18(13)25-3/h4-11,20H,1-3H3.
What are the key properties of 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide?
1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 68946474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).