(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C21H24N2O5S — CID 6160149

IUPAC(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H24N2O5S/c1-16-3-7-18(15-20(16)29(25,26)23-11-13-28-14-12-23)22-21(24)10-6-17-4-8-19(27-2)9-5-17/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b10-6+
InChIKeyKWVFNARFRNOMEZ-UXBLZVDNSA-N
MW416.50 g/mol
LogP2.68
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 6160149) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID6160149
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H24N2O5S/c1-16-3-7-18(15-20(16)29(25,26)23-11-13-28-14-12-23)22-21(24)10-6-17-4-8-19(27-2)9-5-17/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b10-6+
InChIKeyKWVFNARFRNOMEZ-UXBLZVDNSA-N
XLogP2.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 6160149) is (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is KWVFNARFRNOMEZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-16-3-7-18(15-20(16)29(25,26)23-11-13-28-14-12-23)22-21(24)10-6-17-4-8-19(27-2)9-5-17/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b10-6+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 416.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 6160149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).