(E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide

C22H19ClN2O6S — CID 108794091

IUPAC(E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1coc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H19ClN2O6S/c23-18-7-6-16(32(28,29)25-9-11-30-12-10-25)13-19(18)24-21(26)8-5-15-14-31-20-4-2-1-3-17(20)22(15)27/h1-8,13-14H,9-12H2,(H,24,26)/b8-5+
InChIKeyISOJMNHSYAONRK-VMPITWQZSA-N
MW474.92 g/mol
LogP3.12
Rot. Bonds5

About (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide

(E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide (PubChem CID 108794091) has the molecular formula C22H19ClN2O6S and a molecular weight of 474.92 g/mol. Its IUPAC name is (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
PubChem CID108794091
Molecular FormulaC22H19ClN2O6S
Molecular Weight474.92 g/mol
Exact Mass474.07
IUPAC Name(E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1coc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H19ClN2O6S/c23-18-7-6-16(32(28,29)25-9-11-30-12-10-25)13-19(18)24-21(26)8-5-15-14-31-20-4-2-1-3-17(20)22(15)27/h1-8,13-14H,9-12H2,(H,24,26)/b8-5+
InChIKeyISOJMNHSYAONRK-VMPITWQZSA-N
XLogP3.12
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 53.12
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

(E)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805887
(E)-3-(4-aminophenyl)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 84552557
3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3529783
N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904558
(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108794040
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 3436179
(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 17371690
(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805864
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 4077487

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide (CID 108794091) is (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide is O=C(/C=C/c1coc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The InChIKey is ISOJMNHSYAONRK-VMPITWQZSA-N. The full InChI is InChI=1S/C22H19ClN2O6S/c23-18-7-6-16(32(28,29)25-9-11-30-12-10-25)13-19(18)24-21(26)8-5-15-14-31-20-4-2-1-3-17(20)22(15)27/h1-8,13-14H,9-12H2,(H,24,26)/b8-5+.
What are the key properties of (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
(E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide has a molecular weight of 474.92 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 108794091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).