(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide

C20H22N2O4S — CID 1309506

IUPAC(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
SMILESC/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-16(15-17-5-3-2-4-6-17)20(23)21-18-7-9-19(10-8-18)27(24,25)22-11-13-26-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b16-15-
InChIKeyFXHPWMRZHNDWCH-NXVVXOECSA-N
MW386.47 g/mol
LogP2.75
Rot. Bonds5

About (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide

(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide (PubChem CID 1309506) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
PubChem CID1309506
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
SMILESC/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-16(15-17-5-3-2-4-6-17)20(23)21-18-7-9-19(10-8-18)27(24,25)22-11-13-26-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b16-15-
InChIKeyFXHPWMRZHNDWCH-NXVVXOECSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.75
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

(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1305015
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid
CID 2144801
N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
CID 3220629
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4053661
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23940437

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide (CID 1309506) is (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide is C/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide?
The InChIKey is FXHPWMRZHNDWCH-NXVVXOECSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-16(15-17-5-3-2-4-6-17)20(23)21-18-7-9-19(10-8-18)27(24,25)22-11-13-26-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b16-15-.
What are the key properties of (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide?
(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide has a molecular weight of 386.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 1309506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).