(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide

C20H24N2O5S — CID 7689072

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1
InChIInChI=1S/C20H24N2O5S/c1-14-6-9-17(28(24,25)22(2)3)13-18(14)21-20(23)11-7-15-12-16(26-4)8-10-19(15)27-5/h6-13H,1-5H3,(H,21,23)/b11-7+
InChIKeyDOXFNYJDRRJOBZ-YRNVUSSQSA-N
MW404.49 g/mol
LogP2.91
Rot. Bonds7

About (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide (PubChem CID 7689072) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide
PubChem CID7689072
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1
InChIInChI=1S/C20H24N2O5S/c1-14-6-9-17(28(24,25)22(2)3)13-18(14)21-20(23)11-7-15-12-16(26-4)8-10-19(15)27-5/h6-13H,1-5H3,(H,21,23)/b11-7+
InChIKeyDOXFNYJDRRJOBZ-YRNVUSSQSA-N
XLogP2.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 682471
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 17478550
methyl 4-[(E)-3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxoprop-1-enyl]benzoate
CID 8838661
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7688971
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333665
(E)-N-(2-chloro-4-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7926708
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141397
(E)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide
CID 43000049

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide (CID 7689072) is (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide?
The InChIKey is DOXFNYJDRRJOBZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14-6-9-17(28(24,25)22(2)3)13-18(14)21-20(23)11-7-15-12-16(26-4)8-10-19(15)27-5/h6-13H,1-5H3,(H,21,23)/b11-7+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide has a molecular weight of 404.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide is sourced from PubChem (CID 7689072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).