N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide

C15H25FN2O3S — CID 89214999

IUPACN-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C/C=C\C(F)=C/CNC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C15H25FN2O3S/c1-4-5-8-14(16)10-12-17-15(19)9-6-7-11-18-22(20,21)13(2)3/h4-5,8,10,13,18H,1,6-7,9,11-12H2,2-3H3,(H,17,19)/b8-5-,14-10+
InChIKeyFJQGEBBUVDDMJI-IOBBEBRSSA-N
MW332.44 g/mol
LogP2.20
Rot. Bonds11

About N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 89214999) has the molecular formula C15H25FN2O3S and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID89214999
Molecular FormulaC15H25FN2O3S
Molecular Weight332.44 g/mol
Exact Mass332.16
IUPAC NameN-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C/C=C\C(F)=C/CNC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C15H25FN2O3S/c1-4-5-8-14(16)10-12-17-15(19)9-6-7-11-18-22(20,21)13(2)3/h4-5,8,10,13,18H,1,6-7,9,11-12H2,2-3H3,(H,17,19)/b8-5-,14-10+
InChIKeyFJQGEBBUVDDMJI-IOBBEBRSSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 89214999) is N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide is C=C/C=C\C(F)=C/CNC(=O)CCCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is FJQGEBBUVDDMJI-IOBBEBRSSA-N. The full InChI is InChI=1S/C15H25FN2O3S/c1-4-5-8-14(16)10-12-17-15(19)9-6-7-11-18-22(20,21)13(2)3/h4-5,8,10,13,18H,1,6-7,9,11-12H2,2-3H3,(H,17,19)/b8-5-,14-10+.
What are the key properties of N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 332.44 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 89214999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).