(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C23H20F2N2O5S — CID 46489533

IUPAC(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3c(F)cccc3F)ccc2OC)cc1
InChIInChI=1S/C23H20F2N2O5S/c1-31-17-9-6-15(7-10-17)27-33(29,30)22-14-16(8-12-21(22)32-2)26-23(28)13-11-18-19(24)4-3-5-20(18)25/h3-14,27H,1-2H3,(H,26,28)/b13-11+
InChIKeyOAZPDTGRDUYCPQ-ACCUITESSA-N
MW474.49 g/mol
LogP4.43
Rot. Bonds8

About (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 46489533) has the molecular formula C23H20F2N2O5S and a molecular weight of 474.49 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID46489533
Molecular FormulaC23H20F2N2O5S
Molecular Weight474.49 g/mol
Exact Mass474.11
IUPAC Name(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3c(F)cccc3F)ccc2OC)cc1
InChIInChI=1S/C23H20F2N2O5S/c1-31-17-9-6-15(7-10-17)27-33(29,30)22-14-16(8-12-21(22)32-2)26-23(28)13-11-18-19(24)4-3-5-20(18)25/h3-14,27H,1-2H3,(H,26,28)/b13-11+
InChIKeyOAZPDTGRDUYCPQ-ACCUITESSA-N
XLogP4.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4844550
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750
(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide
CID 35745347
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide
CID 46571780
2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 18208108

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 46489533) is (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3c(F)cccc3F)ccc2OC)cc1.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is OAZPDTGRDUYCPQ-ACCUITESSA-N. The full InChI is InChI=1S/C23H20F2N2O5S/c1-31-17-9-6-15(7-10-17)27-33(29,30)22-14-16(8-12-21(22)32-2)26-23(28)13-11-18-19(24)4-3-5-20(18)25/h3-14,27H,1-2H3,(H,26,28)/b13-11+.
What are the key properties of (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 474.49 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 46489533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).