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

C13H17N5OS — CID 15156957

IUPACN-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C13H17N5OS/c1-2-3-4-5-12(19)14-10-6-8-11(9-7-10)18-13(20)15-16-17-18/h6-9H,2-5H2,1H3,(H,14,19)(H,15,17,20)
InChIKeyFDDVCFYUCUQQBN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.84
Rot. Bonds6

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

N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide (PubChem CID 15156957) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide
PubChem CID15156957
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-n2[nH]nnc2=S)cc1
InChIInChI=1S/C13H17N5OS/c1-2-3-4-5-12(19)14-10-6-8-11(9-7-10)18-13(20)15-16-17-18/h6-9H,2-5H2,1H3,(H,14,19)(H,15,17,20)
InChIKeyFDDVCFYUCUQQBN-UHFFFAOYSA-N
XLogP2.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.84
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]hexadecanamide
CID 14453636
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[2,5-dihydroxy-4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]butanamide
CID 135587751
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide
CID 114752772
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-(4-ethenylphenyl)hexanamide
CID 132540479
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide?
The IUPAC name of N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide (CID 15156957) is N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide.
What is the SMILES notation for N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide?
The canonical SMILES for N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(-n2[nH]nnc2=S)cc1.
What is the InChIKey of N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide?
The InChIKey is FDDVCFYUCUQQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-2-3-4-5-12(19)14-10-6-8-11(9-7-10)18-13(20)15-16-17-18/h6-9H,2-5H2,1H3,(H,14,19)(H,15,17,20).
What are the key properties of N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide?
N-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide has a molecular weight of 291.38 g/mol, XLogP of 2.84, 6 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]hexanamide is sourced from PubChem (CID 15156957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).