(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide

C20H29N3O4S — CID 18168362

IUPAC(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1
InChIInChI=1S/C20H29N3O4S/c1-4-7-8-9-20(24)21-18-16-17(28(25,26)23(5-2)6-3)10-11-19(18)22-12-14-27-15-13-22/h4,7-11,16H,5-6,12-15H2,1-3H3,(H,21,24)/b7-4+,9-8+
InChIKeySMLJYKRIKJQCRT-NUXDXBQRSA-N
MW407.54 g/mol
LogP2.62
Rot. Bonds8

About (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide

(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide (PubChem CID 18168362) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
PubChem CID18168362
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1
InChIInChI=1S/C20H29N3O4S/c1-4-7-8-9-20(24)21-18-16-17(28(25,26)23(5-2)6-3)10-11-19(18)22-12-14-27-15-13-22/h4,7-11,16H,5-6,12-15H2,1-3H3,(H,21,24)/b7-4+,9-8+
InChIKeySMLJYKRIKJQCRT-NUXDXBQRSA-N
XLogP2.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
CID 4797773
(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 18287293
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810870
(E)-3-(2-chloro-6-fluorophenyl)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]prop-2-enamide
CID 16562763
(E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 6219257
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 4850521

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide (CID 18168362) is (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1.
What is the InChIKey of (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide?
The InChIKey is SMLJYKRIKJQCRT-NUXDXBQRSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-4-7-8-9-20(24)21-18-16-17(28(25,26)23(5-2)6-3)10-11-19(18)22-12-14-27-15-13-22/h4,7-11,16H,5-6,12-15H2,1-3H3,(H,21,24)/b7-4+,9-8+.
What are the key properties of (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide?
(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide has a molecular weight of 407.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide is sourced from PubChem (CID 18168362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).