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

C20H24N2O6S — CID 11304701

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C20H24N2O6S/c1-26-16-7-5-15(18(13-16)28-3)6-9-20(23)22-11-10-14-4-8-17(27-2)19(12-14)29(21,24)25/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)(H2,21,24,25)/b9-6+
InChIKeyAWJQYELZJOZODF-RMKNXTFCSA-N
MW420.49 g/mol
LogP1.73
Rot. Bonds9

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

(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide (PubChem CID 11304701) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
PubChem CID11304701
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C20H24N2O6S/c1-26-16-7-5-15(18(13-16)28-3)6-9-20(23)22-11-10-14-4-8-17(27-2)19(12-14)29(21,24)25/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)(H2,21,24,25)/b9-6+
InChIKeyAWJQYELZJOZODF-RMKNXTFCSA-N
XLogP1.73
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.73
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

3-(2,4-dimethoxyphenyl)-N-[2-(4-iodo-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 54491467
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 18318624
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide
CID 121395814
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 2684663
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-3-(2,5-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058064
(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 18409174
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide (CID 11304701) is (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide?
The InChIKey is AWJQYELZJOZODF-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-26-16-7-5-15(18(13-16)28-3)6-9-20(23)22-11-10-14-4-8-17(27-2)19(12-14)29(21,24)25/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)(H2,21,24,25)/b9-6+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide?
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide has a molecular weight of 420.49 g/mol, XLogP of 1.73, 9 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-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 11304701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).