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

C20H22N2O5S — CID 2498727

IUPAC(E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O5S/c1-26-18-4-2-3-17(15-18)21-20(23)10-7-16-5-8-19(9-6-16)28(24,25)22-11-13-27-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-7+
InChIKeyBLRUNNSANUEUAE-JXMROGBWSA-N
MW402.47 g/mol
LogP2.37
Rot. Bonds6

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

(E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 2498727) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID2498727
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name(E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O5S/c1-26-18-4-2-3-17(15-18)21-20(23)10-7-16-5-8-19(9-6-16)28(24,25)22-11-13-27-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-7+
InChIKeyBLRUNNSANUEUAE-JXMROGBWSA-N
XLogP2.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.37
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-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3,5-dimethoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2116569
(7-acetamido-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 2484383
N1-[3-(3-{[(4-cyanophenyl)sulfonyl]amino}propoxy)phenyl]acetamide
CID 2802630
N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3900901
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 4092887
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4853782
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5128939
(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6160149
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 2498727) is (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is COc1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is BLRUNNSANUEUAE-JXMROGBWSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-26-18-4-2-3-17(15-18)21-20(23)10-7-16-5-8-19(9-6-16)28(24,25)22-11-13-27-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-7+.
What are the key properties of (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 402.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 2498727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).