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

C16H28N2O4S — CID 89215017

IUPACN-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C(/C=C\C(=C/C)OC)NC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C16H28N2O4S/c1-6-15(22-5)11-10-14(4)18-16(19)9-7-8-12-17-23(20,21)13(2)3/h6,10-11,13,17H,4,7-9,12H2,1-3,5H3,(H,18,19)/b11-10-,15-6+
InChIKeyLJDVPOKQRABXCL-KNGITSSASA-N
MW344.48 g/mol
LogP2.22
Rot. Bonds11

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

N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 89215017) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID89215017
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC NameN-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESC=C(/C=C\C(=C/C)OC)NC(=O)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C16H28N2O4S/c1-6-15(22-5)11-10-14(4)18-16(19)9-7-8-12-17-23(20,21)13(2)3/h6,10-11,13,17H,4,7-9,12H2,1-3,5H3,(H,18,19)/b11-10-,15-6+
InChIKeyLJDVPOKQRABXCL-KNGITSSASA-N
XLogP2.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 89215017) is N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide is C=C(/C=C\C(=C/C)OC)NC(=O)CCCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is LJDVPOKQRABXCL-KNGITSSASA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-6-15(22-5)11-10-14(4)18-16(19)9-7-8-12-17-23(20,21)13(2)3/h6,10-11,13,17H,4,7-9,12H2,1-3,5H3,(H,18,19)/b11-10-,15-6+.
What are the key properties of N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 344.48 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 89215017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).