(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide

C26H27NO5S — CID 19212038

IUPAC(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C26H27NO5S/c1-4-20-11-15-22(16-12-20)27(33(29,30)23-9-7-6-8-10-23)26(28)18-14-21-13-17-24(32-5-2)25(19-21)31-3/h6-19H,4-5H2,1-3H3/b18-14+
InChIKeyWCJMHALOTIVPMO-NBVRZTHBSA-N
MW465.57 g/mol
LogP5.09
Rot. Bonds9

About (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide

(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide (PubChem CID 19212038) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
PubChem CID19212038
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C26H27NO5S/c1-4-20-11-15-22(16-12-20)27(33(29,30)23-9-7-6-8-10-23)26(28)18-14-21-13-17-24(32-5-2)25(19-21)31-3/h6-19H,4-5H2,1-3H3/b18-14+
InChIKeyWCJMHALOTIVPMO-NBVRZTHBSA-N
XLogP5.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.09
H-Bond Donors ≤ 50
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-(benzenesulfonyl)-3-(3,4-diethoxyphenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 19212409
(E)-N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 19212005
(E)-N-(benzenesulfonyl)-N-(4-butylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19212082
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19211725
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
(E)-3-(3,4-diethoxyphenyl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212404
(E)-N-(benzenesulfonyl)-3-(3-bromo-4-methoxyphenyl)-N-(4-butylphenyl)prop-2-enamide
CID 19211971
(E)-N-(benzenesulfonyl)-3-(4-chlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211863
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19210874
(E)-N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 19211737

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide (CID 19212038) is (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide?
The InChIKey is WCJMHALOTIVPMO-NBVRZTHBSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-4-20-11-15-22(16-12-20)27(33(29,30)23-9-7-6-8-10-23)26(28)18-14-21-13-17-24(32-5-2)25(19-21)31-3/h6-19H,4-5H2,1-3H3/b18-14+.
What are the key properties of (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide?
(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide has a molecular weight of 465.57 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 19212038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).