(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide

C26H28N2O6S — CID 18318624

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccc(OCc3ccccc3)c(S(N)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C26H28N2O6S/c1-32-22-11-9-21(24(17-22)33-2)10-13-26(29)28-15-14-19-8-12-23(25(16-19)35(27,30)31)34-18-20-6-4-3-5-7-20/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,29)(H2,27,30,31)/b13-10+
InChIKeyAEERVGYFVDVLDH-JLHYYAGUSA-N
MW496.59 g/mol
LogP3.30
Rot. Bonds11

About (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide

(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide (PubChem CID 18318624) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
PubChem CID18318624
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccc(OCc3ccccc3)c(S(N)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C26H28N2O6S/c1-32-22-11-9-21(24(17-22)33-2)10-13-26(29)28-15-14-19-8-12-23(25(16-19)35(27,30)31)34-18-20-6-4-3-5-7-20/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,29)(H2,27,30,31)/b13-10+
InChIKeyAEERVGYFVDVLDH-JLHYYAGUSA-N
XLogP3.30
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 11304701
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide
CID 121395814
3-(2,4-dimethoxyphenyl)-N-[2-(4-iodo-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 54491467
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 18409174
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 2684663
(E)-3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide;(E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid;2-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 158149952
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide (CID 18318624) is (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2ccc(OCc3ccccc3)c(S(N)(=O)=O)c2)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide?
The InChIKey is AEERVGYFVDVLDH-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-32-22-11-9-21(24(17-22)33-2)10-13-26(29)28-15-14-19-8-12-23(25(16-19)35(27,30)31)34-18-20-6-4-3-5-7-20/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,29)(H2,27,30,31)/b13-10+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide?
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide has a molecular weight of 496.59 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 18318624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).