(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide

C20H23NO5S — CID 84552041

IUPAC(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2c(C)cc(OC)cc2C)c1
InChIInChI=1S/C20H23NO5S/c1-5-27(24,25)16-6-8-19(22)18(12-16)21-20(23)9-7-17-13(2)10-15(26-4)11-14(17)3/h6-12,22H,5H2,1-4H3,(H,21,23)/b9-7+
InChIKeyVNGHOGBYDGKLOJ-VQHVLOKHSA-N
MW389.47 g/mol
LogP3.46
Rot. Bonds6

About (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide

(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide (PubChem CID 84552041) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
PubChem CID84552041
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2c(C)cc(OC)cc2C)c1
InChIInChI=1S/C20H23NO5S/c1-5-27(24,25)16-6-8-19(22)18(12-16)21-20(23)9-7-17-13(2)10-15(26-4)11-14(17)3/h6-12,22H,5H2,1-4H3,(H,21,23)/b9-7+
InChIKeyVNGHOGBYDGKLOJ-VQHVLOKHSA-N
XLogP3.46
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-3-phenyl-acrylamide
CID 732138
N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-2-p-tolyloxy-acetamide
CID 692180
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(4-propylphenoxy)acetamide
CID 1112404
2-(4-ethylphenoxy)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]acetamide
CID 1190076
N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117513
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(3-methylphenoxy)acetamide
CID 679604
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 31618408
2-cyano-3-[4-(difluoromethoxy)phenyl]-N-[5-(ethanesulfonyl)-2-hydroxyphenyl]prop-2-enamide
CID 2318205
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)prop-2-enamide
CID 2318206
2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)prop-2-enamide
CID 4289618
(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 17459763
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide
CID 31618569

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide (CID 84552041) is (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2c(C)cc(OC)cc2C)c1.
What is the InChIKey of (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The InChIKey is VNGHOGBYDGKLOJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-5-27(24,25)16-6-8-19(22)18(12-16)21-20(23)9-7-17-13(2)10-15(26-4)11-14(17)3/h6-12,22H,5H2,1-4H3,(H,21,23)/b9-7+.
What are the key properties of (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide has a molecular weight of 389.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 84552041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).