(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide

C26H28N2O4S — CID 26795755

IUPAC(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C26H28N2O4S/c1-28(2)33(30,31)25-18-20(14-16-24(25)32-3)15-17-26(29)27-19-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-18,23H,19H2,1-3H3,(H,27,29)/b17-15+
InChIKeyJBIFGILCFVBHHU-BMRADRMJSA-N
MW464.59 g/mol
LogP3.91
Rot. Bonds9

About (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide

(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide (PubChem CID 26795755) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide
PubChem CID26795755
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C26H28N2O4S/c1-28(2)33(30,31)25-18-20(14-16-24(25)32-3)15-17-26(29)27-19-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-18,23H,19H2,1-3H3,(H,27,29)/b17-15+
InChIKeyJBIFGILCFVBHHU-BMRADRMJSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]prop-2-enamide
CID 86956047
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]prop-2-enamide
CID 9164717
(E)-N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 55339283
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 51547725
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide
CID 26889820
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide
CID 26881910
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9106601
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(3S)-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]-3-phenylbutanoic acid
CID 163069387
(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112229
(E)-N-[3-(N-ethylanilino)propyl]-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 37244959
(E)-3-[3-[bis(2-methylpropyl)sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
CID 9160655

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide (CID 26795755) is (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide?
The InChIKey is JBIFGILCFVBHHU-BMRADRMJSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-28(2)33(30,31)25-18-20(14-16-24(25)32-3)15-17-26(29)27-19-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-18,23H,19H2,1-3H3,(H,27,29)/b17-15+.
What are the key properties of (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide?
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide has a molecular weight of 464.59 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide is sourced from PubChem (CID 26795755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).