(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide

C25H23N3O4S — CID 26852058

IUPAC(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(C#N)cc3)ccc2C)cc1
InChIInChI=1S/C25H23N3O4S/c1-3-32-23-13-11-21(12-14-23)28-33(30,31)24-16-22(10-4-18(24)2)27-25(29)15-9-19-5-7-20(17-26)8-6-19/h4-16,28H,3H2,1-2H3,(H,27,29)/b15-9+
InChIKeyNFXOWDRXTGTPAC-OQLLNIDSSA-N
MW461.54 g/mol
LogP4.72
Rot. Bonds8

About (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide

(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide (PubChem CID 26852058) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
PubChem CID26852058
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(C#N)cc3)ccc2C)cc1
InChIInChI=1S/C25H23N3O4S/c1-3-32-23-13-11-21(12-14-23)28-33(30,31)24-16-22(10-4-18(24)2)27-25(29)15-9-19-5-7-20(17-26)8-6-19/h4-16,28H,3H2,1-2H3,(H,27,29)/b15-9+
InChIKeyNFXOWDRXTGTPAC-OQLLNIDSSA-N
XLogP4.72
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
(E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141198
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
CID 97456090
(E)-3-[4-(cyanomethoxy)phenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 26593794
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
CID 76870673
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide
CID 6065136
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide (CID 26852058) is (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(C#N)cc3)ccc2C)cc1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide?
The InChIKey is NFXOWDRXTGTPAC-OQLLNIDSSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-3-32-23-13-11-21(12-14-23)28-33(30,31)24-16-22(10-4-18(24)2)27-25(29)15-9-19-5-7-20(17-26)8-6-19/h4-16,28H,3H2,1-2H3,(H,27,29)/b15-9+.
What are the key properties of (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide?
(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide has a molecular weight of 461.54 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide is sourced from PubChem (CID 26852058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).