(E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide

C20H22N2O4S — CID 162399387

IUPAC(E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-16-2-9-19(10-3-16)27(24,25)21-20(23)11-6-17-4-7-18(8-5-17)22-12-14-26-15-13-22/h2-11H,12-15H2,1H3,(H,21,23)/b11-6+
InChIKeyLTIGYWKMRRHKLZ-IZZDOVSWSA-N
MW386.47 g/mol
LogP2.35
Rot. Bonds5

About (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide

(E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 162399387) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID162399387
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-16-2-9-19(10-3-16)27(24,25)21-20(23)11-6-17-4-7-18(8-5-17)22-12-14-26-15-13-22/h2-11H,12-15H2,1H3,(H,21,23)/b11-6+
InChIKeyLTIGYWKMRRHKLZ-IZZDOVSWSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2367802
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
4-methyl-6-(morpholin-4-ylsulfonyl)quinolin-2(1H)-one
CID 16832102

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide (CID 162399387) is (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide is Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is LTIGYWKMRRHKLZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-16-2-9-19(10-3-16)27(24,25)21-20(23)11-6-17-4-7-18(8-5-17)22-12-14-26-15-13-22/h2-11H,12-15H2,1H3,(H,21,23)/b11-6+.
What are the key properties of (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 386.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylphenyl)sulfonyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 162399387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).