5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide

C18H29F3N2O3S — CID 89214763

IUPAC5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide
SMILESC=C/C(=C\C=C(/C)CNC(=O)CCCCNS(=O)(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C18H29F3N2O3S/c1-6-15(18(19,20)21)11-10-14(2)13-22-16(24)9-7-8-12-23-27(25,26)17(3,4)5/h6,10-11,23H,1,7-9,12-13H2,2-5H3,(H,22,24)/b14-10+,15-11+
InChIKeyVRLPHVKBZFAVIT-WFYKWJGLSA-N
MW410.50 g/mol
LogP3.61
Rot. Bonds10

About 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide

5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide (PubChem CID 89214763) has the molecular formula C18H29F3N2O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide
PubChem CID89214763
Molecular FormulaC18H29F3N2O3S
Molecular Weight410.50 g/mol
Exact Mass410.19
IUPAC Name5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide
SMILESC=C/C(=C\C=C(/C)CNC(=O)CCCCNS(=O)(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C18H29F3N2O3S/c1-6-15(18(19,20)21)11-10-14(2)13-22-16(24)9-7-8-12-23-27(25,26)17(3,4)5/h6,10-11,23H,1,7-9,12-13H2,2-5H3,(H,22,24)/b14-10+,15-11+
InChIKeyVRLPHVKBZFAVIT-WFYKWJGLSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.61
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'}

Analyze 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4E)-2-methyl-5-(trifluoromethyl)hepta-4,6-dienyl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 89074094
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
5-(tert-butylsulfinylamino)-N-[(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-yl]pentanamide
CID 89215014
5-(tert-butylsulfinylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4-methylhepta-2,4-dien-3-yl]pentanamide
CID 162554353

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide (CID 89214763) is 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide is C=C/C(=C\C=C(/C)CNC(=O)CCCCNS(=O)(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide?
The InChIKey is VRLPHVKBZFAVIT-WFYKWJGLSA-N. The full InChI is InChI=1S/C18H29F3N2O3S/c1-6-15(18(19,20)21)11-10-14(2)13-22-16(24)9-7-8-12-23-27(25,26)17(3,4)5/h6,10-11,23H,1,7-9,12-13H2,2-5H3,(H,22,24)/b14-10+,15-11+.
What are the key properties of 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide?
5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide has a molecular weight of 410.50 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide is sourced from PubChem (CID 89214763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).