N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide

C14H24F2N2O3S — CID 89214868

IUPACN-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)NC/C(F)=C\C=C/CF
InChIInChI=1S/C14H24F2N2O3S/c1-12(2)22(20,21)18-10-6-4-8-14(19)17-11-13(16)7-3-5-9-15/h3,5,7,12,18H,4,6,8-11H2,1-2H3,(H,17,19)/b5-3-,13-7+
InChIKeyPLUCQUBIIIYUDQ-UUBQBMLNSA-N
MW338.42 g/mol
LogP1.98
Rot. Bonds11

About N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 89214868) has the molecular formula C14H24F2N2O3S and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID89214868
Molecular FormulaC14H24F2N2O3S
Molecular Weight338.42 g/mol
Exact Mass338.15
IUPAC NameN-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)NC/C(F)=C\C=C/CF
InChIInChI=1S/C14H24F2N2O3S/c1-12(2)22(20,21)18-10-6-4-8-14(19)17-11-13(16)7-3-5-9-15/h3,5,7,12,18H,4,6,8-11H2,1-2H3,(H,17,19)/b5-3-,13-7+
InChIKeyPLUCQUBIIIYUDQ-UUBQBMLNSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(propan-2-ylsulfonylamino)-N-[(1R)-2,4,6-trifluorocyclohexa-2,4-dien-1-yl]pentanamide
CID 70974370
N-(2-fluorocyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 70974371
N-(2-fluorocyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 71040487
5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide
CID 89214763
5-(propan-2-ylsulfonylamino)-N-[(2Z,4E)-4-(trifluoromethoxy)hepta-2,4,6-trienyl]pentanamide
CID 89214982
N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89214999
N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89215018
N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide
CID 89215148

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 89214868) is N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)NC/C(F)=C\C=C/CF.
What is the InChIKey of N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is PLUCQUBIIIYUDQ-UUBQBMLNSA-N. The full InChI is InChI=1S/C14H24F2N2O3S/c1-12(2)22(20,21)18-10-6-4-8-14(19)17-11-13(16)7-3-5-9-15/h3,5,7,12,18H,4,6,8-11H2,1-2H3,(H,17,19)/b5-3-,13-7+.
What are the key properties of N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 338.42 g/mol, XLogP of 1.98, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 89214868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).