(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide

C21H24N2O5S — CID 2664788

IUPAC(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O5S/c1-16-3-7-18(8-4-16)22-21(24)10-6-17-5-9-19(27-2)20(15-17)29(25,26)23-11-13-28-14-12-23/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b10-6+
InChIKeyNKRZAJWYIXWAKJ-UXBLZVDNSA-N
MW416.50 g/mol
LogP2.68
Rot. Bonds6

About (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide

(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 2664788) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide
PubChem CID2664788
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O5S/c1-16-3-7-18(8-4-16)22-21(24)10-6-17-5-9-19(27-2)20(15-17)29(25,26)23-11-13-28-14-12-23/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b10-6+
InChIKeyNKRZAJWYIXWAKJ-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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Related Compounds

N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-methoxy-5-methylbenzenesulfonamide
CID 44431564
2-methoxy-5-[(4-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonic acid
CID 268982
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 5977527
(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6160149
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6216103
(E)-N-hydroxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 10126993
(E)-N-hydroxy-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 10194570

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide (CID 2664788) is (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is NKRZAJWYIXWAKJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-16-3-7-18(8-4-16)22-21(24)10-6-17-5-9-19(27-2)20(15-17)29(25,26)23-11-13-28-14-12-23/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b10-6+.
What are the key properties of (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide?
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)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-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 2664788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).