N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide

C18H32N4O4S — CID 20630433

IUPACN-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide
SMILESCCCCOc1cc(C)nc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C18H32N4O4S/c1-6-7-12-26-16-13-14(2)20-17(22-16)21-15(23)10-8-9-11-19-27(24,25)18(3,4)5/h13,19H,6-12H2,1-5H3,(H,20,21,22,23)
InChIKeyGAYBNCKWLWSXSV-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.79
Rot. Bonds11

About N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide

N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide (PubChem CID 20630433) has the molecular formula C18H32N4O4S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide
PubChem CID20630433
Molecular FormulaC18H32N4O4S
Molecular Weight400.55 g/mol
Exact Mass400.21
IUPAC NameN-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide
SMILESCCCCOc1cc(C)nc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C18H32N4O4S/c1-6-7-12-26-16-13-14(2)20-17(22-16)21-15(23)10-8-9-11-19-27(24,25)18(3,4)5/h13,19H,6-12H2,1-5H3,(H,20,21,22,23)
InChIKeyGAYBNCKWLWSXSV-UHFFFAOYSA-N
XLogP2.79
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide?
The IUPAC name of N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide (CID 20630433) is N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide.
What is the SMILES notation for N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide?
The canonical SMILES for N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide is CCCCOc1cc(C)nc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)n1.
What is the InChIKey of N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide?
The InChIKey is GAYBNCKWLWSXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4S/c1-6-7-12-26-16-13-14(2)20-17(22-16)21-15(23)10-8-9-11-19-27(24,25)18(3,4)5/h13,19H,6-12H2,1-5H3,(H,20,21,22,23).
What are the key properties of N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide?
N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide has a molecular weight of 400.55 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide is sourced from PubChem (CID 20630433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).