N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide

C22H41N5O4S — CID 59450628

IUPACN-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide
SMILESCC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1
InChIInChI=1S/C22H41N5O4S/c1-20(28)16-15-19-32(30,31)25-22(29)18-14-12-10-8-6-4-2-3-5-7-9-11-13-17-21-23-26-27-24-21/h2-19H2,1H3,(H,25,29)(H,23,24,26,27)
InChIKeyRBLNKMZXVZPIIM-UHFFFAOYSA-N
MW471.67 g/mol
LogP4.02
Rot. Bonds21

About N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide

N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide (PubChem CID 59450628) has the molecular formula C22H41N5O4S and a molecular weight of 471.67 g/mol. Its IUPAC name is N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide.

Molecular Properties

Compound NameN-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide
PubChem CID59450628
Molecular FormulaC22H41N5O4S
Molecular Weight471.67 g/mol
Exact Mass471.29
IUPAC NameN-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide
SMILESCC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1
InChIInChI=1S/C22H41N5O4S/c1-20(28)16-15-19-32(30,31)25-22(29)18-14-12-10-8-6-4-2-3-5-7-9-11-13-17-21-23-26-27-24-21/h2-19H2,1H3,(H,25,29)(H,23,24,26,27)
InChIKeyRBLNKMZXVZPIIM-UHFFFAOYSA-N
XLogP4.02
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide 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-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide?
The IUPAC name of N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide (CID 59450628) is N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide.
What is the SMILES notation for N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide?
The canonical SMILES for N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide is CC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1.
What is the InChIKey of N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide?
The InChIKey is RBLNKMZXVZPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O4S/c1-20(28)16-15-19-32(30,31)25-22(29)18-14-12-10-8-6-4-2-3-5-7-9-11-13-17-21-23-26-27-24-21/h2-19H2,1H3,(H,25,29)(H,23,24,26,27).
What are the key properties of N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide?
N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide has a molecular weight of 471.67 g/mol, XLogP of 4.02, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxopentylsulfonyl)-16-(2H-tetrazol-5-yl)hexadecanamide is sourced from PubChem (CID 59450628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).