(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C19H22N2O6S — CID 15945387

IUPAC(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O6S/c1-14-3-5-16(27-14)6-8-19(22)20-15-4-7-17(25-2)18(13-15)28(23,24)21-9-11-26-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)/b8-6+
InChIKeyYSMYOGHNKGGOPZ-SOFGYWHQSA-N
MW406.46 g/mol
LogP2.27
Rot. Bonds6

About (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 15945387) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID15945387
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O6S/c1-14-3-5-16(27-14)6-8-19(22)20-15-4-7-17(25-2)18(13-15)28(23,24)21-9-11-26-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)/b8-6+
InChIKeyYSMYOGHNKGGOPZ-SOFGYWHQSA-N
XLogP2.27
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3403224
(E)-3-(5-bromothiophen-2-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26174381
N-(3,5-dimethylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71903951
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3361660
(E)-N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2704846
N-(4-acetylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4853468
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 5188502
(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 42991753
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6052241
3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4831078
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 15945387) is (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is YSMYOGHNKGGOPZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-14-3-5-16(27-14)6-8-19(22)20-15-4-7-17(25-2)18(13-15)28(23,24)21-9-11-26-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)/b8-6+.
What are the key properties of (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 406.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 15945387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).