(2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide

C19H32F2N2O3S — CID 147827289

IUPAC(2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide
SMILESC/C=C(\C=C(/C)C(=O)NC(C)C/C(F)=C\CF)S(=O)(=O)NC(C)CCCC
InChIInChI=1S/C19H32F2N2O3S/c1-6-8-9-15(4)23-27(25,26)18(7-2)12-14(3)19(24)22-16(5)13-17(21)10-11-20/h7,10,12,15-16,23H,6,8-9,11,13H2,1-5H3,(H,22,24)/b14-12+,17-10+,18-7+
InChIKeyHQJYUQQWJVBXGG-XONAGDOOSA-N
MW406.54 g/mol
LogP4.05
Rot. Bonds12

About (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide

(2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide (PubChem CID 147827289) has the molecular formula C19H32F2N2O3S and a molecular weight of 406.54 g/mol. Its IUPAC name is (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide
PubChem CID147827289
Molecular FormulaC19H32F2N2O3S
Molecular Weight406.54 g/mol
Exact Mass406.21
IUPAC Name(2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide
SMILESC/C=C(\C=C(/C)C(=O)NC(C)C/C(F)=C\CF)S(=O)(=O)NC(C)CCCC
InChIInChI=1S/C19H32F2N2O3S/c1-6-8-9-15(4)23-27(25,26)18(7-2)12-14(3)19(24)22-16(5)13-17(21)10-11-20/h7,10,12,15-16,23H,6,8-9,11,13H2,1-5H3,(H,22,24)/b14-12+,17-10+,18-7+
InChIKeyHQJYUQQWJVBXGG-XONAGDOOSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
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

4-(tert-butylsulfonylamino)-N-(1,1,1-trifluoroheptan-3-yl)cyclohexa-1,3-diene-1-carboxamide
CID 70892657
4-(tert-butylsulfinylamino)-N-[2-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide
CID 70892670
N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
CID 89214938
4-(propan-2-ylsulfinylamino)-N-(8,8,8-trifluoro-2-methyloct-1-en-4-yl)cyclohexa-1,5-diene-1-carboxamide
CID 89214942
N-[(2Z,4E)-5-ethyl-4-(trifluoromethyl)hepta-2,4,6-trienyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
CID 89215030
(E)-2-[(Z)-3-(tert-butylsulfonylamino)prop-1-enyl]-N-[5-ethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-2-enamide
CID 89215184
4-[[4-(tert-butylsulfonylamino)cyclohexa-1,5-diene-1-carbonyl]amino]-N-cyclohexylcyclohexa-1,5-diene-1-carboxamide
CID 71040298
4-(tert-butylsulfonylamino)-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-diene-1-carboxamide
CID 71040548
(3Z)-N-(2,4-dimethylpentyl)-2-methylidene-5-[methyl(3-methylbutyl)sulfamoyl]hexa-3,5-dienamide
CID 89738287
N-(2,4-dimethylpentyl)-2-methylidene-5-[methyl(3-methylbutyl)sulfamoyl]hexa-3,5-dienamide
CID 123599690

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide (CID 147827289) is (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide is C/C=C(\C=C(/C)C(=O)NC(C)C/C(F)=C\CF)S(=O)(=O)NC(C)CCCC.
What is the InChIKey of (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide?
The InChIKey is HQJYUQQWJVBXGG-XONAGDOOSA-N. The full InChI is InChI=1S/C19H32F2N2O3S/c1-6-8-9-15(4)23-27(25,26)18(7-2)12-14(3)19(24)22-16(5)13-17(21)10-11-20/h7,10,12,15-16,23H,6,8-9,11,13H2,1-5H3,(H,22,24)/b14-12+,17-10+,18-7+.
What are the key properties of (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide?
(2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide has a molecular weight of 406.54 g/mol, XLogP of 4.05, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(E)-4,6-difluorohex-4-en-2-yl]-4-(hexan-2-ylsulfamoyl)-2-methylhexa-2,4-dienamide is sourced from PubChem (CID 147827289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).