N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide

C15H29N3O3S — CID 89215148

IUPACN-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide
SMILESC/C=C\C(N)=C/CNC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H29N3O3S/c1-5-8-13(16)10-12-17-14(19)9-6-7-11-18-22(20,21)15(2,3)4/h5,8,10,18H,6-7,9,11-12,16H2,1-4H3,(H,17,19)/b8-5-,13-10+
InChIKeyWUSMSGRPDBUCOX-FCVOTRHQSA-N
MW331.48 g/mol
LogP1.41
Rot. Bonds9

About N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide

N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide (PubChem CID 89215148) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide
PubChem CID89215148
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide
SMILESC/C=C\C(N)=C/CNC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H29N3O3S/c1-5-8-13(16)10-12-17-14(19)9-6-7-11-18-22(20,21)15(2,3)4/h5,8,10,18H,6-7,9,11-12,16H2,1-4H3,(H,17,19)/b8-5-,13-10+
InChIKeyWUSMSGRPDBUCOX-FCVOTRHQSA-N
XLogP1.41
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide?
The IUPAC name of N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide (CID 89215148) is N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide.
What is the SMILES notation for N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide?
The canonical SMILES for N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide is C/C=C\C(N)=C/CNC(=O)CCCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide?
The InChIKey is WUSMSGRPDBUCOX-FCVOTRHQSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-5-8-13(16)10-12-17-14(19)9-6-7-11-18-22(20,21)15(2,3)4/h5,8,10,18H,6-7,9,11-12,16H2,1-4H3,(H,17,19)/b8-5-,13-10+.
What are the key properties of N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide?
N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide has a molecular weight of 331.48 g/mol, XLogP of 1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-aminohexa-2,4-dienyl]-5-(tert-butylsulfonylamino)pentanamide is sourced from PubChem (CID 89215148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).