(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide

C23H22N2O4S — CID 17371690

IUPAC(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H22N2O4S/c26-23(12-11-19-7-3-6-18-5-1-2-10-22(18)19)24-20-8-4-9-21(17-20)30(27,28)25-13-15-29-16-14-25/h1-12,17H,13-16H2,(H,24,26)/b12-11+
InChIKeyDXZQWQABUFKFTK-VAWYXSNFSA-N
MW422.51 g/mol
LogP3.51
Rot. Bonds5

About (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide

(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 17371690) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID17371690
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H22N2O4S/c26-23(12-11-19-7-3-6-18-5-1-2-10-22(18)19)24-20-8-4-9-21(17-20)30(27,28)25-13-15-29-16-14-25/h1-12,17H,13-16H2,(H,24,26)/b12-11+
InChIKeyDXZQWQABUFKFTK-VAWYXSNFSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 9403990
(E)-3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55342789
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 55485816
(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 8001993
(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926310
4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 154772070
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26249588
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
(E)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 1307715
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide (CID 17371690) is (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is DXZQWQABUFKFTK-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-23(12-11-19-7-3-6-18-5-1-2-10-22(18)19)24-20-8-4-9-21(17-20)30(27,28)25-13-15-29-16-14-25/h1-12,17H,13-16H2,(H,24,26)/b12-11+.
What are the key properties of (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 422.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 17371690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).