(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide

C15H20N2O3S — CID 95333326

IUPAC(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H20N2O3S/c1-4-5-6-10-15(18)17(3)12(2)13-8-7-9-14(11-13)21(16,19)20/h4-12H,1-3H3,(H2,16,19,20)/b5-4+,10-6+/t12-/m1/s1
InChIKeyQLHUUZBOWKIXRU-VIGIRYAPSA-N
MW308.40 g/mol
LogP1.99
Rot. Bonds5

About (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide

(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide (PubChem CID 95333326) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
PubChem CID95333326
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H20N2O3S/c1-4-5-6-10-15(18)17(3)12(2)13-8-7-9-14(11-13)21(16,19)20/h4-12H,1-3H3,(H2,16,19,20)/b5-4+,10-6+/t12-/m1/s1
InChIKeyQLHUUZBOWKIXRU-VIGIRYAPSA-N
XLogP1.99
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 60668579
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 95336916
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
N-(3-sulfamoylphenyl)hexa-2,4-dienamide
CID 60635779
3-[1-[2-hydroxybutyl(methyl)amino]ethyl]benzenesulfonamide
CID 111544265
(E)-3-(3,5-dichlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 24560290
3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
CID 99804013
2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 166187865
2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 56532417
(E)-N-methyl-3-(2-nitrophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 46635557

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide (CID 95333326) is (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide?
The InChIKey is QLHUUZBOWKIXRU-VIGIRYAPSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-5-6-10-15(18)17(3)12(2)13-8-7-9-14(11-13)21(16,19)20/h4-12H,1-3H3,(H2,16,19,20)/b5-4+,10-6+/t12-/m1/s1.
What are the key properties of (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide?
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide has a molecular weight of 308.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 95333326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).