N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide

C18H35N5O3S — CID 163659727

IUPACN-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide
SMILESCOS(=O)NC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1
InChIInChI=1S/C18H35N5O3S/c1-26-27(25)21-18(24)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-22-23-20-17/h2-16H2,1H3,(H,21,24)(H,19,20,22,23)
InChIKeyITIVBECTQBBLER-UHFFFAOYSA-N
MW401.58 g/mol
LogP3.54
Rot. Bonds18

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

N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide (PubChem CID 163659727) has the molecular formula C18H35N5O3S and a molecular weight of 401.58 g/mol. Its IUPAC name is N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide.

Molecular Properties

Compound NameN-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide
PubChem CID163659727
Molecular FormulaC18H35N5O3S
Molecular Weight401.58 g/mol
Exact Mass401.25
IUPAC NameN-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide
SMILESCOS(=O)NC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1
InChIInChI=1S/C18H35N5O3S/c1-26-27(25)21-18(24)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-22-23-20-17/h2-16H2,1H3,(H,21,24)(H,19,20,22,23)
InChIKeyITIVBECTQBBLER-UHFFFAOYSA-N
XLogP3.54
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.54
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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Related Compounds

N-methylsulfonyl-16-(2H-tetrazol-5-yl)hexadecanamide
CID 130331563
N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
CID 129191004
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
N-[4-(methylamino)-4-oxobutyl]sulfonyl-16-(2H-tetrazol-5-yl)hexadecanamide
CID 67104639
N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
CID 118528577
N-heptyl-3-(2H-tetrazol-5-yl)propanamide
CID 67740632
5-pentyl-2H-tetrazole
CID 139080284
N-[4-(2-methoxyethylamino)-4-oxobutyl]sulfonyl-4-(2H-tetrazol-5-yl)butanamide
CID 90455556
5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
CID 129310162
1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
CID 167627003
1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
CID 167706452
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797

Frequently Asked Questions

What is the IUPAC name of N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide?
The IUPAC name of N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide (CID 163659727) is N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide.
What is the SMILES notation for N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide?
The canonical SMILES for N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide is COS(=O)NC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1.
What is the InChIKey of N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide?
The InChIKey is ITIVBECTQBBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O3S/c1-26-27(25)21-18(24)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-22-23-20-17/h2-16H2,1H3,(H,21,24)(H,19,20,22,23).
What are the key properties of N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide?
N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide has a molecular weight of 401.58 g/mol, XLogP of 3.54, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide is sourced from PubChem (CID 163659727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).