(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide

C20H22N2O5S — CID 7733249

IUPAC(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H22N2O5S/c1-26-19-9-8-17(28(24,25)22-11-13-27-14-12-22)15-18(19)21-20(23)10-7-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-7+
InChIKeyZHRBCDSLAVXQLJ-JXMROGBWSA-N
MW402.47 g/mol
LogP2.37
Rot. Bonds6

About (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide

(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide (PubChem CID 7733249) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
PubChem CID7733249
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H22N2O5S/c1-26-19-9-8-17(28(24,25)22-11-13-27-14-12-22)15-18(19)21-20(23)10-7-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-7+
InChIKeyZHRBCDSLAVXQLJ-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

(E)-3-(3,4-dimethoxyphenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6089454
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 26848715
(E)-3-(4-fluorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 30393885
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 24627113
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2330677
(E)-N-(2-tert-butylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2117973
N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904558

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide (CID 7733249) is (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide?
The InChIKey is ZHRBCDSLAVXQLJ-JXMROGBWSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-26-19-9-8-17(28(24,25)22-11-13-27-14-12-22)15-18(19)21-20(23)10-7-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-7+.
What are the key properties of (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide?
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-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-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 7733249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).