(E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide

C17H17NO4S — CID 56675264

IUPAC(E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO4S/c1-13-3-10-16(11-4-13)23(20,21)18-17(19)12-7-14-5-8-15(22-2)9-6-14/h3-12H,1-2H3,(H,18,19)/b12-7+
InChIKeyLQGSUZOBOFXKOO-KPKJPENVSA-N
MW331.39 g/mol
LogP2.52
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide (PubChem CID 56675264) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
PubChem CID56675264
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO4S/c1-13-3-10-16(11-4-13)23(20,21)18-17(19)12-7-14-5-8-15(22-2)9-6-14/h3-12H,1-2H3,(H,18,19)/b12-7+
InChIKeyLQGSUZOBOFXKOO-KPKJPENVSA-N
XLogP2.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide (CID 56675264) is (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide is COc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The InChIKey is LQGSUZOBOFXKOO-KPKJPENVSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-13-3-10-16(11-4-13)23(20,21)18-17(19)12-7-14-5-8-15(22-2)9-6-14/h3-12H,1-2H3,(H,18,19)/b12-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide has a molecular weight of 331.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 56675264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).