N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide

C15H26N2O3S — CID 89215018

IUPACN-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C/C(=C\C=C\C)NC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C15H26N2O3S/c1-5-7-10-14(6-2)17-15(18)11-8-9-12-16-21(19,20)13(3)4/h5-7,10,13,16H,2,8-9,11-12H2,1,3-4H3,(H,17,18)/b7-5+,14-10+
InChIKeyWMUPHWNNPCJLNT-XOBXVUKQSA-N
MW314.45 g/mol
LogP2.25
Rot. Bonds10

About N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 89215018) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID89215018
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C/C(=C\C=C\C)NC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C15H26N2O3S/c1-5-7-10-14(6-2)17-15(18)11-8-9-12-16-21(19,20)13(3)4/h5-7,10,13,16H,2,8-9,11-12H2,1,3-4H3,(H,17,18)/b7-5+,14-10+
InChIKeyWMUPHWNNPCJLNT-XOBXVUKQSA-N
XLogP2.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.25
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-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide
CID 89214862
N-[(2E,4Z)-2,6-difluorohexa-2,4-dienyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89214868
N-[(2E,4Z)-3-fluorohepta-2,4,6-trienyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89214999
N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89215017
N-[(2E,4E)-5-amino-6-sulfanylhexa-2,4-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89215078
N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide
CID 89215148

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 89215018) is N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide is C=C/C(=C\C=C\C)NC(=O)CCCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is WMUPHWNNPCJLNT-XOBXVUKQSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-7-10-14(6-2)17-15(18)11-8-9-12-16-21(19,20)13(3)4/h5-7,10,13,16H,2,8-9,11-12H2,1,3-4H3,(H,17,18)/b7-5+,14-10+.
What are the key properties of N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 314.45 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 89215018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).