N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide

C23H37N5OS — CID 14453636

IUPACN-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C23H37N5OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)24-20-16-18-21(19-17-20)28-23(30)25-26-27-28/h16-19H,2-15H2,1H3,(H,24,29)(H,25,27,30)
InChIKeyRDSNURZDRPWQET-UHFFFAOYSA-N
MW431.65 g/mol
LogP6.74
Rot. Bonds16

About N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide

N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide (PubChem CID 14453636) has the molecular formula C23H37N5OS and a molecular weight of 431.65 g/mol. Its IUPAC name is N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide.

Molecular Properties

Compound NameN-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide
PubChem CID14453636
Molecular FormulaC23H37N5OS
Molecular Weight431.65 g/mol
Exact Mass431.27
IUPAC NameN-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C23H37N5OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)24-20-16-18-21(19-17-20)28-23(30)25-26-27-28/h16-19H,2-15H2,1H3,(H,24,29)(H,25,27,30)
InChIKeyRDSNURZDRPWQET-UHFFFAOYSA-N
XLogP6.74
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.65
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide
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N-[4-(tetrazol-1-yl)phenyl]hexanamide
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N-(4-acetamidophenyl)hexanamide
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N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
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N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide
CID 114752772
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980
N-(4-heptylphenyl)heptanamide
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N-(4-tert-butylphenyl)dodecanamide
CID 118504435

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide?
The IUPAC name of N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide (CID 14453636) is N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide.
What is the SMILES notation for N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide?
The canonical SMILES for N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1ccc(-n2[nH]nnc2=S)cc1.
What is the InChIKey of N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide?
The InChIKey is RDSNURZDRPWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)24-20-16-18-21(19-17-20)28-23(30)25-26-27-28/h16-19H,2-15H2,1H3,(H,24,29)(H,25,27,30).
What are the key properties of N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide?
N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide has a molecular weight of 431.65 g/mol, XLogP of 6.74, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexadecanamide is sourced from PubChem (CID 14453636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).