5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide

C17H27F3N2O3S — CID 89214862

IUPAC5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide
SMILESC=C(/C=C\C(=C/CC)NC(=O)CCCCNS(=O)(=O)C(C)C)C(F)(F)F
InChIInChI=1S/C17H27F3N2O3S/c1-5-8-15(11-10-14(4)17(18,19)20)22-16(23)9-6-7-12-21-26(24,25)13(2)3/h8,10-11,13,21H,4-7,9,12H2,1-3H3,(H,22,23)/b11-10-,15-8+
InChIKeyUYHBRFSCCOHJSH-TYFZWJSASA-N
MW396.48 g/mol
LogP3.57
Rot. Bonds11

About 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide

5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide (PubChem CID 89214862) has the molecular formula C17H27F3N2O3S and a molecular weight of 396.48 g/mol. Its IUPAC name is 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide.

Molecular Properties

Compound Name5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide
PubChem CID89214862
Molecular FormulaC17H27F3N2O3S
Molecular Weight396.48 g/mol
Exact Mass396.17
IUPAC Name5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide
SMILESC=C(/C=C\C(=C/CC)NC(=O)CCCCNS(=O)(=O)C(C)C)C(F)(F)F
InChIInChI=1S/C17H27F3N2O3S/c1-5-8-15(11-10-14(4)17(18,19)20)22-16(23)9-6-7-12-21-26(24,25)13(2)3/h8,10-11,13,21H,4-7,9,12H2,1-3H3,(H,22,23)/b11-10-,15-8+
InChIKeyUYHBRFSCCOHJSH-TYFZWJSASA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.57
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-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide
CID 70892486
4-(tert-butylsulfonylamino)-N-(1,1,1-trifluoroheptan-3-yl)cyclohexa-1,3-diene-1-carboxamide
CID 70892657
5-(tert-butylsulfinylamino)-N-(4,5,6-trifluorocyclohexa-1,5-dien-1-yl)pentanamide
CID 71040280
5-(propan-2-ylsulfinylamino)-N-(4,5,6-trifluorocyclohexa-1,5-dien-1-yl)pentanamide
CID 71040361
5-(tert-butylsulfinylamino)-N-(5-fluoro-5-methylcyclohexa-1,3-dien-1-yl)pentanamide
CID 71040417
5-[ethylsulfonyl(methyl)amino]-2,3,4-trimethyl-N-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 71040541
N-[(4E)-2-methyl-5-(trifluoromethyl)hepta-4,6-dienyl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 89074094
5-(tert-butylsulfonylamino)-N-[(2E,4E)-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienyl]pentanamide
CID 89214763
(Z)-N-[(3Z)-6-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-5-(propan-2-ylsulfonylamino)hept-3-enamide
CID 89214930
(Z)-N-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfinylamino)-2-prop-2-enylpent-3-enamide
CID 89214990
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-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide?
The IUPAC name of 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide (CID 89214862) is 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide.
What is the SMILES notation for 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide?
The canonical SMILES for 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide is C=C(/C=C\C(=C/CC)NC(=O)CCCCNS(=O)(=O)C(C)C)C(F)(F)F.
What is the InChIKey of 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide?
The InChIKey is UYHBRFSCCOHJSH-TYFZWJSASA-N. The full InChI is InChI=1S/C17H27F3N2O3S/c1-5-8-15(11-10-14(4)17(18,19)20)22-16(23)9-6-7-12-21-26(24,25)13(2)3/h8,10-11,13,21H,4-7,9,12H2,1-3H3,(H,22,23)/b11-10-,15-8+.
What are the key properties of 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide?
5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide has a molecular weight of 396.48 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide is sourced from PubChem (CID 89214862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).