5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide

C17H32N2O3S — CID 89214927

IUPAC5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide
SMILESC=CC(CC=C(C)C)NC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C17H32N2O3S/c1-7-15(12-11-14(2)3)19-16(20)10-8-9-13-18-23(21,22)17(4,5)6/h7,11,15,18H,1,8-10,12-13H2,2-6H3,(H,19,20)
InChIKeyPIDJLQNSPQWEPZ-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.90
Rot. Bonds10

About 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide

5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide (PubChem CID 89214927) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide
PubChem CID89214927
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide
SMILESC=CC(CC=C(C)C)NC(=O)CCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C17H32N2O3S/c1-7-15(12-11-14(2)3)19-16(20)10-8-9-13-18-23(21,22)17(4,5)6/h7,11,15,18H,1,8-10,12-13H2,2-6H3,(H,19,20)
InChIKeyPIDJLQNSPQWEPZ-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide (CID 89214927) is 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide is C=CC(CC=C(C)C)NC(=O)CCCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide?
The InChIKey is PIDJLQNSPQWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-7-15(12-11-14(2)3)19-16(20)10-8-9-13-18-23(21,22)17(4,5)6/h7,11,15,18H,1,8-10,12-13H2,2-6H3,(H,19,20).
What are the key properties of 5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide?
5-(tert-butylsulfonylamino)-N-(6-methylhepta-1,5-dien-3-yl)pentanamide has a molecular weight of 344.52 g/mol, XLogP of 2.90, 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-(6-methylhepta-1,5-dien-3-yl)pentanamide is sourced from PubChem (CID 89214927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).