N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide

C18H22N2O6S — CID 67317738

IUPACN-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C=Cc2c(OC)cc(OC)cc2OC)c(N)c1
InChIInChI=1S/C18H22N2O6S/c1-23-12-5-6-16(15(19)9-12)20-27(21,22)8-7-14-17(25-3)10-13(24-2)11-18(14)26-4/h5-11,20H,19H2,1-4H3
InChIKeyPVJPFAWPJPKIRO-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.72
Rot. Bonds8

About N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide

N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (PubChem CID 67317738) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
PubChem CID67317738
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C=Cc2c(OC)cc(OC)cc2OC)c(N)c1
InChIInChI=1S/C18H22N2O6S/c1-23-12-5-6-16(15(19)9-12)20-27(21,22)8-7-14-17(25-3)10-13(24-2)11-18(14)26-4/h5-11,20H,19H2,1-4H3
InChIKeyPVJPFAWPJPKIRO-UHFFFAOYSA-N
XLogP2.72
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745325
(E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 18772364
N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide
CID 63688397
(E)-2-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745322
(E)-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745323
2-(2-methoxyphenyl)-4-methyl-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]benzenesulfonic acid
CID 87269861
N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide;(2S)-2,6-diaminohexanamide
CID 67318094
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
CID 66810663
N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
CID 87354087
[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
CID 67319141
2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
CID 10151889
3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]-3-oxopropanoic acid
CID 10310996

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (CID 67317738) is N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is COc1ccc(NS(=O)(=O)C=Cc2c(OC)cc(OC)cc2OC)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The InChIKey is PVJPFAWPJPKIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-23-12-5-6-16(15(19)9-12)20-27(21,22)8-7-14-17(25-3)10-13(24-2)11-18(14)26-4/h5-11,20H,19H2,1-4H3.
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide has a molecular weight of 394.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 67317738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).