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

C21H24N2O5S — CID 6249170

IUPAC(E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O5S/c1-27-20-5-3-2-4-18(20)16-22-21(24)11-8-17-6-9-19(10-7-17)29(25,26)23-12-14-28-15-13-23/h2-11H,12-16H2,1H3,(H,22,24)/b11-8+
InChIKeyQDRBZIWUDDHXMG-DHZHZOJOSA-N
MW416.50 g/mol
LogP2.05
Rot. Bonds7

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

(E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 6249170) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID6249170
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name(E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O5S/c1-27-20-5-3-2-4-18(20)16-22-21(24)11-8-17-6-9-19(10-7-17)29(25,26)23-12-14-28-15-13-23/h2-11H,12-16H2,1H3,(H,22,24)/b11-8+
InChIKeyQDRBZIWUDDHXMG-DHZHZOJOSA-N
XLogP2.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.05
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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Related Compounds

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CID 11707647
2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
CID 2970501
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CID 17585104
2-oxo-N-[(4-sulfamoylphenyl)methyl]-2H-chromene-3-carboxamide
CID 4572067
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
4-[(dimethylamino)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 2293105
N-[2-(4-methoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456565
N-[2-(2-methoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456568
2-methoxy-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431463
2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4845318
N-(2-Methoxy-benzyl)-3-(morpholine-4-sulfonyl)-benzenesulfonamide
CID 648711
N-[(4-Methoxy-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 651872

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 6249170) is (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is COc1ccccc1CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is QDRBZIWUDDHXMG-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-27-20-5-3-2-4-18(20)16-22-21(24)11-8-17-6-9-19(10-7-17)29(25,26)23-12-14-28-15-13-23/h2-11H,12-16H2,1H3,(H,22,24)/b11-8+.
What are the key properties of (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 416.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 6249170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).