(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide

C17H17NO4S — CID 732138

IUPAC(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C17H17NO4S/c1-2-23(21,22)14-9-10-16(19)15(12-14)18-17(20)11-8-13-6-4-3-5-7-13/h3-12,19H,2H2,1H3,(H,18,20)/b11-8+
InChIKeyVZVSNKIMSIIUHC-DHZHZOJOSA-N
MW331.39 g/mol
LogP2.84
Rot. Bonds5

About (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide

(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide (PubChem CID 732138) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide
PubChem CID732138
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C17H17NO4S/c1-2-23(21,22)14-9-10-16(19)15(12-14)18-17(20)11-8-13-6-4-3-5-7-13/h3-12,19H,2H2,1H3,(H,18,20)/b11-8+
InChIKeyVZVSNKIMSIIUHC-DHZHZOJOSA-N
XLogP2.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-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
1-(4-Butylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 145988784
(2E)-3-(4-chlorophenyl)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]prop-2-enamide
CID 1112418
N-[4-(tert-butyl)phenyl]-N'-[5-(ethylsulfonyl)-2-hydroxyphenyl]urea
CID 2811774
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 6295909
1-(5-Ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea
CID 733062
N-(2-hydroxyphenyl)-2-[(4-hydroxyphenyl)thio]acetamide
CID 11858595
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(3-methylphenoxy)acetamide
CID 679604
(5Z)-3-[(5-ethylsulfonyl-2-hydroxyanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2309596

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide (CID 732138) is (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is VZVSNKIMSIIUHC-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-2-23(21,22)14-9-10-16(19)15(12-14)18-17(20)11-8-13-6-4-3-5-7-13/h3-12,19H,2H2,1H3,(H,18,20)/b11-8+.
What are the key properties of (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide?
(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 331.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 732138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).