(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C20H24N2O6S — CID 8917840

IUPAC(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O6S/c1-22(2)29(24,25)16-9-7-15(8-10-16)21-19(23)11-6-14-12-17(26-3)20(28-5)18(13-14)27-4/h6-13H,1-5H3,(H,21,23)/b11-6+
InChIKeyXUPDYLJMXSGGLX-IZZDOVSWSA-N
MW420.49 g/mol
LogP2.61
Rot. Bonds8

About (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 8917840) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID8917840
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O6S/c1-22(2)29(24,25)16-9-7-15(8-10-16)21-19(23)11-6-14-12-17(26-3)20(28-5)18(13-14)27-4/h6-13H,1-5H3,(H,21,23)/b11-6+
InChIKeyXUPDYLJMXSGGLX-IZZDOVSWSA-N
XLogP2.61
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 1179409
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4549362
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2330150
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26657138
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
N-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3338109
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4613238
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2331637

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 8917840) is (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is XUPDYLJMXSGGLX-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-22(2)29(24,25)16-9-7-15(8-10-16)21-19(23)11-6-14-12-17(26-3)20(28-5)18(13-14)27-4/h6-13H,1-5H3,(H,21,23)/b11-6+.
What are the key properties of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 420.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8917840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).